USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 782 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 SER OG : rot 103:sc= 0.613 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0.0198 USER MOD Set 2.1: A 69 THR OG1 : rot 106:sc= -1.25 USER MOD Set 2.2: A 89 LYS NZ :NH3+ 159:sc= 1.42 (180deg=0.00572) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.37 (180deg=0.83) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 6 HIS : no HD1:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0798 X(o=-0.08,f=-0.086) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 9 HIS : no HD1:sc= -0.785 X(o=-0.79,f=-0.39) USER MOD Single : A 10 HIS : no HD1:sc=-0.00878 X(o=-0.0088,f=-0.0098) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.16) USER MOD Single : A 22 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.0025) USER MOD Single : A 23 MET CE :methyl 157:sc= -0.258 (180deg=-1.12) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 62:sc= 0.263 USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0259) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= -0.211 (180deg=-0.24) USER MOD Single : A 37 SER OG : rot 180:sc= -0.173 USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= 1.15 (180deg=0.789) USER MOD Single : A 48 MET CE :methyl 134:sc= -1.04 (180deg=-3.83!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0181 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -80:sc= -0.937 USER MOD Single : A 83 LYS NZ :NH3+ 160:sc= 1.13 (180deg=0.393) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.85 K(o=-0.85,f=-2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -45.061 -21.293 22.191 1.00 0.00 N ATOM 2 CA MET A 1 -44.195 -20.548 23.134 1.00 0.00 C ATOM 3 C MET A 1 -43.439 -19.449 22.404 1.00 0.00 C ATOM 4 O MET A 1 -42.735 -19.711 21.428 1.00 0.00 O ATOM 5 CB MET A 1 -43.201 -21.490 23.825 1.00 0.00 C ATOM 6 CG MET A 1 -43.829 -22.401 24.870 1.00 0.00 C ATOM 7 SD MET A 1 -44.951 -23.632 24.174 1.00 0.00 S ATOM 8 CE MET A 1 -45.469 -24.484 25.665 1.00 0.00 C ATOM 0 H1 MET A 1 -45.329 -22.205 22.613 1.00 0.00 H new ATOM 0 H2 MET A 1 -45.918 -20.738 21.994 1.00 0.00 H new ATOM 0 H3 MET A 1 -44.545 -21.460 21.304 1.00 0.00 H new ATOM 0 HA MET A 1 -44.834 -20.098 23.894 1.00 0.00 H new ATOM 0 HB2 MET A 1 -42.714 -22.105 23.068 1.00 0.00 H new ATOM 0 HB3 MET A 1 -42.422 -20.893 24.300 1.00 0.00 H new ATOM 0 HG2 MET A 1 -43.037 -22.912 25.418 1.00 0.00 H new ATOM 0 HG3 MET A 1 -44.374 -21.792 25.591 1.00 0.00 H new ATOM 0 HE1 MET A 1 -46.168 -25.279 25.406 1.00 0.00 H new ATOM 0 HE2 MET A 1 -44.598 -24.914 26.159 1.00 0.00 H new ATOM 0 HE3 MET A 1 -45.956 -23.777 26.337 1.00 0.00 H new ATOM 18 N GLY A 2 -43.589 -18.220 22.877 1.00 0.00 N ATOM 19 CA GLY A 2 -42.914 -17.098 22.254 1.00 0.00 C ATOM 20 C GLY A 2 -43.716 -16.513 21.111 1.00 0.00 C ATOM 21 O GLY A 2 -43.242 -16.459 19.974 1.00 0.00 O ATOM 0 H GLY A 2 -44.167 -17.979 23.682 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -42.732 -16.325 23.001 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -41.940 -17.421 21.885 1.00 0.00 H new ATOM 25 N SER A 3 -44.933 -16.077 21.408 1.00 0.00 N ATOM 26 CA SER A 3 -45.805 -15.500 20.398 1.00 0.00 C ATOM 27 C SER A 3 -45.267 -14.146 19.941 1.00 0.00 C ATOM 28 O SER A 3 -45.286 -13.171 20.698 1.00 0.00 O ATOM 29 CB SER A 3 -47.217 -15.348 20.960 1.00 0.00 C ATOM 30 OG SER A 3 -47.669 -16.562 21.536 1.00 0.00 O ATOM 0 H SER A 3 -45.338 -16.113 22.343 1.00 0.00 H new ATOM 0 HA SER A 3 -45.836 -16.166 19.536 1.00 0.00 H new ATOM 0 HB2 SER A 3 -47.230 -14.558 21.711 1.00 0.00 H new ATOM 0 HB3 SER A 3 -47.898 -15.043 20.165 1.00 0.00 H new ATOM 0 HG SER A 3 -48.574 -16.439 21.890 1.00 0.00 H new ATOM 36 N SER A 4 -44.764 -14.101 18.716 1.00 0.00 N ATOM 37 CA SER A 4 -44.195 -12.884 18.165 1.00 0.00 C ATOM 38 C SER A 4 -45.288 -11.982 17.585 1.00 0.00 C ATOM 39 O SER A 4 -46.216 -12.449 16.918 1.00 0.00 O ATOM 40 CB SER A 4 -43.162 -13.237 17.094 1.00 0.00 C ATOM 41 OG SER A 4 -42.184 -14.134 17.604 1.00 0.00 O ATOM 0 H SER A 4 -44.739 -14.900 18.083 1.00 0.00 H new ATOM 0 HA SER A 4 -43.702 -12.334 18.967 1.00 0.00 H new ATOM 0 HB2 SER A 4 -43.662 -13.688 16.237 1.00 0.00 H new ATOM 0 HB3 SER A 4 -42.677 -12.328 16.739 1.00 0.00 H new ATOM 0 HG SER A 4 -41.536 -14.346 16.900 1.00 0.00 H new ATOM 47 N HIS A 5 -45.177 -10.693 17.856 1.00 0.00 N ATOM 48 CA HIS A 5 -46.149 -9.715 17.390 1.00 0.00 C ATOM 49 C HIS A 5 -45.476 -8.720 16.448 1.00 0.00 C ATOM 50 O HIS A 5 -44.653 -7.908 16.877 1.00 0.00 O ATOM 51 CB HIS A 5 -46.776 -8.992 18.588 1.00 0.00 C ATOM 52 CG HIS A 5 -47.818 -7.977 18.222 1.00 0.00 C ATOM 53 ND1 HIS A 5 -47.621 -6.619 18.350 1.00 0.00 N ATOM 54 CD2 HIS A 5 -49.079 -8.127 17.749 1.00 0.00 C ATOM 55 CE1 HIS A 5 -48.711 -5.978 17.977 1.00 0.00 C ATOM 56 NE2 HIS A 5 -49.609 -6.869 17.608 1.00 0.00 N ATOM 0 H HIS A 5 -44.414 -10.294 18.403 1.00 0.00 H new ATOM 0 HA HIS A 5 -46.941 -10.226 16.842 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -47.224 -9.733 19.250 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -45.986 -8.497 19.152 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -49.574 -9.061 17.525 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -48.845 -4.906 17.974 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -50.548 -6.657 17.271 1.00 0.00 H new ATOM 65 N HIS A 6 -45.818 -8.791 15.167 1.00 0.00 N ATOM 66 CA HIS A 6 -45.199 -7.925 14.167 1.00 0.00 C ATOM 67 C HIS A 6 -46.194 -6.918 13.607 1.00 0.00 C ATOM 68 O HIS A 6 -47.259 -7.286 13.118 1.00 0.00 O ATOM 69 CB HIS A 6 -44.572 -8.750 13.029 1.00 0.00 C ATOM 70 CG HIS A 6 -45.522 -9.669 12.315 1.00 0.00 C ATOM 71 ND1 HIS A 6 -45.662 -10.998 12.647 1.00 0.00 N ATOM 72 CD2 HIS A 6 -46.372 -9.453 11.282 1.00 0.00 C ATOM 73 CE1 HIS A 6 -46.550 -11.561 11.849 1.00 0.00 C ATOM 74 NE2 HIS A 6 -46.997 -10.644 11.015 1.00 0.00 N ATOM 0 H HIS A 6 -46.517 -9.435 14.796 1.00 0.00 H new ATOM 0 HA HIS A 6 -44.405 -7.371 14.668 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -44.136 -8.065 12.301 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -43.754 -9.343 13.438 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -46.528 -8.517 10.765 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -46.858 -12.596 11.875 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -47.696 -10.796 10.288 1.00 0.00 H new ATOM 83 N HIS A 7 -45.843 -5.647 13.724 1.00 0.00 N ATOM 84 CA HIS A 7 -46.590 -4.556 13.111 1.00 0.00 C ATOM 85 C HIS A 7 -45.701 -3.327 12.998 1.00 0.00 C ATOM 86 O HIS A 7 -45.119 -2.881 13.986 1.00 0.00 O ATOM 87 CB HIS A 7 -47.851 -4.205 13.911 1.00 0.00 C ATOM 88 CG HIS A 7 -49.091 -4.898 13.436 1.00 0.00 C ATOM 89 ND1 HIS A 7 -49.699 -4.605 12.235 1.00 0.00 N ATOM 90 CD2 HIS A 7 -49.833 -5.884 13.998 1.00 0.00 C ATOM 91 CE1 HIS A 7 -50.760 -5.371 12.083 1.00 0.00 C ATOM 92 NE2 HIS A 7 -50.864 -6.157 13.135 1.00 0.00 N ATOM 0 H HIS A 7 -45.026 -5.339 14.251 1.00 0.00 H new ATOM 0 HA HIS A 7 -46.904 -4.885 12.120 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -47.685 -4.458 14.958 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -48.010 -3.128 13.864 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -49.647 -6.364 14.947 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -51.432 -5.357 11.238 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -51.593 -6.855 13.284 1.00 0.00 H new ATOM 101 N HIS A 8 -45.564 -2.801 11.793 1.00 0.00 N ATOM 102 CA HIS A 8 -44.784 -1.594 11.572 1.00 0.00 C ATOM 103 C HIS A 8 -45.691 -0.456 11.148 1.00 0.00 C ATOM 104 O HIS A 8 -46.345 -0.532 10.110 1.00 0.00 O ATOM 105 CB HIS A 8 -43.705 -1.818 10.510 1.00 0.00 C ATOM 106 CG HIS A 8 -42.426 -2.370 11.052 1.00 0.00 C ATOM 107 ND1 HIS A 8 -41.224 -1.704 10.962 1.00 0.00 N ATOM 108 CD2 HIS A 8 -42.161 -3.528 11.698 1.00 0.00 C ATOM 109 CE1 HIS A 8 -40.278 -2.429 11.521 1.00 0.00 C ATOM 110 NE2 HIS A 8 -40.818 -3.540 11.979 1.00 0.00 N ATOM 0 H HIS A 8 -45.984 -3.192 10.950 1.00 0.00 H new ATOM 0 HA HIS A 8 -44.293 -1.336 12.510 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -44.091 -2.500 9.752 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -43.498 -0.871 10.011 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -42.874 -4.300 11.947 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -39.235 -2.159 11.592 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -40.319 -4.287 12.463 1.00 0.00 H new ATOM 119 N HIS A 9 -45.740 0.591 11.956 1.00 0.00 N ATOM 120 CA HIS A 9 -46.524 1.763 11.610 1.00 0.00 C ATOM 121 C HIS A 9 -45.614 2.860 11.058 1.00 0.00 C ATOM 122 O HIS A 9 -45.000 3.625 11.796 1.00 0.00 O ATOM 123 CB HIS A 9 -47.378 2.257 12.803 1.00 0.00 C ATOM 124 CG HIS A 9 -46.613 2.748 14.007 1.00 0.00 C ATOM 125 ND1 HIS A 9 -46.179 1.923 15.023 1.00 0.00 N ATOM 126 CD2 HIS A 9 -46.233 4.000 14.360 1.00 0.00 C ATOM 127 CE1 HIS A 9 -45.566 2.646 15.942 1.00 0.00 C ATOM 128 NE2 HIS A 9 -45.587 3.907 15.564 1.00 0.00 N ATOM 0 H HIS A 9 -45.250 0.653 12.849 1.00 0.00 H new ATOM 0 HA HIS A 9 -47.230 1.485 10.827 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -48.022 3.064 12.453 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -48.030 1.443 13.119 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -46.407 4.904 13.796 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -45.122 2.267 16.851 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -45.187 4.688 16.084 1.00 0.00 H new ATOM 137 N HIS A 10 -45.494 2.902 9.746 1.00 0.00 N ATOM 138 CA HIS A 10 -44.671 3.905 9.102 1.00 0.00 C ATOM 139 C HIS A 10 -45.556 5.070 8.693 1.00 0.00 C ATOM 140 O HIS A 10 -46.254 5.003 7.682 1.00 0.00 O ATOM 141 CB HIS A 10 -43.948 3.310 7.890 1.00 0.00 C ATOM 142 CG HIS A 10 -42.732 4.078 7.470 1.00 0.00 C ATOM 143 ND1 HIS A 10 -42.568 4.606 6.208 1.00 0.00 N ATOM 144 CD2 HIS A 10 -41.601 4.382 8.150 1.00 0.00 C ATOM 145 CE1 HIS A 10 -41.394 5.202 6.131 1.00 0.00 C ATOM 146 NE2 HIS A 10 -40.784 5.081 7.295 1.00 0.00 N ATOM 0 H HIS A 10 -45.955 2.255 9.107 1.00 0.00 H new ATOM 0 HA HIS A 10 -43.907 4.258 9.795 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -43.657 2.285 8.120 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -44.643 3.263 7.052 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -41.382 4.123 9.175 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -40.998 5.705 5.261 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -39.859 5.446 7.522 1.00 0.00 H new ATOM 155 N SER A 11 -45.545 6.117 9.499 1.00 0.00 N ATOM 156 CA SER A 11 -46.436 7.249 9.303 1.00 0.00 C ATOM 157 C SER A 11 -46.083 8.041 8.048 1.00 0.00 C ATOM 158 O SER A 11 -44.919 8.379 7.815 1.00 0.00 O ATOM 159 CB SER A 11 -46.393 8.153 10.535 1.00 0.00 C ATOM 160 OG SER A 11 -45.054 8.376 10.953 1.00 0.00 O ATOM 0 H SER A 11 -44.923 6.207 10.303 1.00 0.00 H new ATOM 0 HA SER A 11 -47.447 6.864 9.166 1.00 0.00 H new ATOM 0 HB2 SER A 11 -46.871 9.106 10.309 1.00 0.00 H new ATOM 0 HB3 SER A 11 -46.960 7.696 11.346 1.00 0.00 H new ATOM 0 HG SER A 11 -45.050 8.958 11.741 1.00 0.00 H new ATOM 166 N SER A 12 -47.091 8.315 7.237 1.00 0.00 N ATOM 167 CA SER A 12 -46.914 9.115 6.041 1.00 0.00 C ATOM 168 C SER A 12 -47.025 10.596 6.390 1.00 0.00 C ATOM 169 O SER A 12 -48.012 11.031 6.989 1.00 0.00 O ATOM 170 CB SER A 12 -47.965 8.736 4.996 1.00 0.00 C ATOM 171 OG SER A 12 -47.975 7.335 4.765 1.00 0.00 O ATOM 0 H SER A 12 -48.046 7.992 7.389 1.00 0.00 H new ATOM 0 HA SER A 12 -45.925 8.923 5.625 1.00 0.00 H new ATOM 0 HB2 SER A 12 -48.950 9.059 5.333 1.00 0.00 H new ATOM 0 HB3 SER A 12 -47.760 9.260 4.063 1.00 0.00 H new ATOM 0 HG SER A 12 -48.656 7.119 4.095 1.00 0.00 H new ATOM 177 N GLY A 13 -46.011 11.361 6.025 1.00 0.00 N ATOM 178 CA GLY A 13 -46.005 12.775 6.325 1.00 0.00 C ATOM 179 C GLY A 13 -45.290 13.571 5.258 1.00 0.00 C ATOM 180 O GLY A 13 -44.081 13.797 5.350 1.00 0.00 O ATOM 0 H GLY A 13 -45.188 11.026 5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -47.031 13.131 6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -45.521 12.940 7.288 1.00 0.00 H new ATOM 184 N ARG A 14 -46.028 13.975 4.236 1.00 0.00 N ATOM 185 CA ARG A 14 -45.453 14.728 3.137 1.00 0.00 C ATOM 186 C ARG A 14 -45.707 16.213 3.336 1.00 0.00 C ATOM 187 O ARG A 14 -46.833 16.688 3.186 1.00 0.00 O ATOM 188 CB ARG A 14 -46.032 14.275 1.795 1.00 0.00 C ATOM 189 CG ARG A 14 -45.264 14.818 0.603 1.00 0.00 C ATOM 190 CD ARG A 14 -45.817 14.305 -0.714 1.00 0.00 C ATOM 191 NE ARG A 14 -47.021 15.024 -1.129 1.00 0.00 N ATOM 192 CZ ARG A 14 -47.261 15.396 -2.387 1.00 0.00 C ATOM 193 NH1 ARG A 14 -46.368 15.142 -3.338 1.00 0.00 N ATOM 194 NH2 ARG A 14 -48.390 16.032 -2.690 1.00 0.00 N ATOM 0 H ARG A 14 -47.028 13.793 4.146 1.00 0.00 H new ATOM 0 HA ARG A 14 -44.379 14.543 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -46.032 13.186 1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -47.071 14.596 1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -45.303 15.907 0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -44.215 14.536 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -45.055 14.401 -1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -46.045 13.243 -0.621 1.00 0.00 H new ATOM 0 HE ARG A 14 -47.715 15.253 -0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -45.498 14.662 -3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -46.552 15.427 -4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -49.073 16.235 -1.960 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -48.573 16.316 -3.652 1.00 0.00 H new ATOM 208 N GLU A 15 -44.661 16.928 3.702 1.00 0.00 N ATOM 209 CA GLU A 15 -44.737 18.363 3.891 1.00 0.00 C ATOM 210 C GLU A 15 -43.426 18.991 3.430 1.00 0.00 C ATOM 211 O GLU A 15 -42.432 18.287 3.258 1.00 0.00 O ATOM 212 CB GLU A 15 -45.024 18.685 5.367 1.00 0.00 C ATOM 213 CG GLU A 15 -45.237 20.165 5.663 1.00 0.00 C ATOM 214 CD GLU A 15 -46.300 20.797 4.784 1.00 0.00 C ATOM 215 OE1 GLU A 15 -45.935 21.423 3.767 1.00 0.00 O ATOM 216 OE2 GLU A 15 -47.499 20.672 5.103 1.00 0.00 O ATOM 0 H GLU A 15 -43.737 16.532 3.876 1.00 0.00 H new ATOM 0 HA GLU A 15 -45.552 18.778 3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -45.911 18.134 5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -44.193 18.323 5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -45.520 20.284 6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -44.296 20.697 5.525 1.00 0.00 H new ATOM 224 N ASN A 16 -43.439 20.292 3.197 1.00 0.00 N ATOM 225 CA ASN A 16 -42.249 21.007 2.760 1.00 0.00 C ATOM 226 C ASN A 16 -41.214 21.039 3.875 1.00 0.00 C ATOM 227 O ASN A 16 -41.400 21.728 4.880 1.00 0.00 O ATOM 228 CB ASN A 16 -42.612 22.440 2.352 1.00 0.00 C ATOM 229 CG ASN A 16 -43.543 22.501 1.156 1.00 0.00 C ATOM 230 OD1 ASN A 16 -43.098 22.578 0.009 1.00 0.00 O ATOM 231 ND2 ASN A 16 -44.843 22.476 1.410 1.00 0.00 N ATOM 0 H ASN A 16 -44.266 20.880 3.304 1.00 0.00 H new ATOM 0 HA ASN A 16 -41.829 20.486 1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -43.082 22.944 3.197 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -41.698 22.988 2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -45.514 22.521 0.643 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -45.173 22.412 2.373 1.00 0.00 H new ATOM 238 N LEU A 17 -40.135 20.281 3.717 1.00 0.00 N ATOM 239 CA LEU A 17 -39.076 20.274 4.713 1.00 0.00 C ATOM 240 C LEU A 17 -38.246 21.543 4.606 1.00 0.00 C ATOM 241 O LEU A 17 -37.221 21.581 3.924 1.00 0.00 O ATOM 242 CB LEU A 17 -38.176 19.037 4.595 1.00 0.00 C ATOM 243 CG LEU A 17 -38.826 17.701 4.975 1.00 0.00 C ATOM 244 CD1 LEU A 17 -39.606 17.117 3.809 1.00 0.00 C ATOM 245 CD2 LEU A 17 -37.775 16.718 5.462 1.00 0.00 C ATOM 0 H LEU A 17 -39.973 19.670 2.917 1.00 0.00 H new ATOM 0 HA LEU A 17 -39.552 20.235 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -37.820 18.967 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -37.300 19.186 5.227 1.00 0.00 H new ATOM 0 HG LEU A 17 -39.530 17.888 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -40.055 16.170 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -40.391 17.813 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -38.933 16.949 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -38.254 15.775 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -37.045 16.544 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -37.271 17.128 6.337 1.00 0.00 H new ATOM 257 N TYR A 18 -38.733 22.587 5.250 1.00 0.00 N ATOM 258 CA TYR A 18 -38.063 23.875 5.278 1.00 0.00 C ATOM 259 C TYR A 18 -38.023 24.390 6.714 1.00 0.00 C ATOM 260 O TYR A 18 -37.445 25.435 7.008 1.00 0.00 O ATOM 261 CB TYR A 18 -38.811 24.855 4.356 1.00 0.00 C ATOM 262 CG TYR A 18 -38.190 26.236 4.244 1.00 0.00 C ATOM 263 CD1 TYR A 18 -37.037 26.446 3.498 1.00 0.00 C ATOM 264 CD2 TYR A 18 -38.775 27.332 4.866 1.00 0.00 C ATOM 265 CE1 TYR A 18 -36.477 27.707 3.387 1.00 0.00 C ATOM 266 CE2 TYR A 18 -38.221 28.594 4.763 1.00 0.00 C ATOM 267 CZ TYR A 18 -37.076 28.777 4.018 1.00 0.00 C ATOM 268 OH TYR A 18 -36.528 30.037 3.912 1.00 0.00 O ATOM 0 H TYR A 18 -39.609 22.566 5.772 1.00 0.00 H new ATOM 0 HA TYR A 18 -37.038 23.778 4.919 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -38.870 24.418 3.359 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -39.833 24.962 4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -36.570 25.611 2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -39.679 27.195 5.441 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -35.576 27.852 2.809 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -38.683 29.432 5.264 1.00 0.00 H new ATOM 0 HH TYR A 18 -37.075 30.675 4.416 1.00 0.00 H new ATOM 278 N PHE A 19 -38.609 23.616 7.618 1.00 0.00 N ATOM 279 CA PHE A 19 -38.739 24.027 9.005 1.00 0.00 C ATOM 280 C PHE A 19 -37.492 23.640 9.790 1.00 0.00 C ATOM 281 O PHE A 19 -37.553 22.842 10.729 1.00 0.00 O ATOM 282 CB PHE A 19 -39.985 23.394 9.633 1.00 0.00 C ATOM 283 CG PHE A 19 -41.227 23.554 8.795 1.00 0.00 C ATOM 284 CD1 PHE A 19 -41.687 24.812 8.441 1.00 0.00 C ATOM 285 CD2 PHE A 19 -41.926 22.441 8.348 1.00 0.00 C ATOM 286 CE1 PHE A 19 -42.819 24.959 7.663 1.00 0.00 C ATOM 287 CE2 PHE A 19 -43.059 22.584 7.567 1.00 0.00 C ATOM 288 CZ PHE A 19 -43.504 23.844 7.224 1.00 0.00 C ATOM 0 H PHE A 19 -39.002 22.698 7.412 1.00 0.00 H new ATOM 0 HA PHE A 19 -38.847 25.111 9.039 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -39.801 22.332 9.796 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -40.156 23.842 10.612 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -41.154 25.689 8.778 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -41.581 21.452 8.613 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -43.168 25.946 7.398 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -43.594 21.710 7.226 1.00 0.00 H new ATOM 0 HZ PHE A 19 -44.387 23.958 6.613 1.00 0.00 H new ATOM 298 N GLN A 20 -36.363 24.195 9.377 1.00 0.00 N ATOM 299 CA GLN A 20 -35.089 23.956 10.035 1.00 0.00 C ATOM 300 C GLN A 20 -34.150 25.117 9.716 1.00 0.00 C ATOM 301 O GLN A 20 -33.476 25.113 8.686 1.00 0.00 O ATOM 302 CB GLN A 20 -34.477 22.635 9.556 1.00 0.00 C ATOM 303 CG GLN A 20 -33.620 21.932 10.599 1.00 0.00 C ATOM 304 CD GLN A 20 -34.451 21.351 11.728 1.00 0.00 C ATOM 305 OE1 GLN A 20 -34.912 20.212 11.655 1.00 0.00 O ATOM 306 NE2 GLN A 20 -34.631 22.120 12.788 1.00 0.00 N ATOM 0 H GLN A 20 -36.305 24.824 8.576 1.00 0.00 H new ATOM 0 HA GLN A 20 -35.241 23.886 11.112 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -35.280 21.965 9.250 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -33.869 22.828 8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -33.051 21.134 10.121 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -32.897 22.638 11.008 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -34.233 23.059 12.811 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -35.168 21.775 13.583 1.00 0.00 H new ATOM 315 N GLY A 21 -34.132 26.122 10.580 1.00 0.00 N ATOM 316 CA GLY A 21 -33.411 27.345 10.267 1.00 0.00 C ATOM 317 C GLY A 21 -32.259 27.625 11.207 1.00 0.00 C ATOM 318 O GLY A 21 -31.901 28.782 11.424 1.00 0.00 O ATOM 0 H GLY A 21 -34.599 26.116 11.487 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -33.030 27.282 9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -34.106 28.184 10.297 1.00 0.00 H new ATOM 322 N HIS A 22 -31.683 26.579 11.780 1.00 0.00 N ATOM 323 CA HIS A 22 -30.518 26.732 12.643 1.00 0.00 C ATOM 324 C HIS A 22 -29.617 25.516 12.561 1.00 0.00 C ATOM 325 O HIS A 22 -29.935 24.453 13.095 1.00 0.00 O ATOM 326 CB HIS A 22 -30.919 26.996 14.099 1.00 0.00 C ATOM 327 CG HIS A 22 -31.069 28.451 14.406 1.00 0.00 C ATOM 328 ND1 HIS A 22 -32.265 29.032 14.772 1.00 0.00 N ATOM 329 CD2 HIS A 22 -30.160 29.452 14.386 1.00 0.00 C ATOM 330 CE1 HIS A 22 -32.082 30.325 14.960 1.00 0.00 C ATOM 331 NE2 HIS A 22 -30.814 30.604 14.733 1.00 0.00 N ATOM 0 H HIS A 22 -32.001 25.617 11.664 1.00 0.00 H new ATOM 0 HA HIS A 22 -29.967 27.601 12.284 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -31.859 26.487 14.310 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -30.168 26.566 14.761 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -29.112 29.360 14.142 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -32.842 31.035 15.251 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -30.389 31.528 14.804 1.00 0.00 H new ATOM 340 N MET A 23 -28.502 25.681 11.869 1.00 0.00 N ATOM 341 CA MET A 23 -27.525 24.614 11.717 1.00 0.00 C ATOM 342 C MET A 23 -26.167 25.068 12.231 1.00 0.00 C ATOM 343 O MET A 23 -25.575 26.010 11.703 1.00 0.00 O ATOM 344 CB MET A 23 -27.401 24.171 10.254 1.00 0.00 C ATOM 345 CG MET A 23 -28.579 23.353 9.736 1.00 0.00 C ATOM 346 SD MET A 23 -30.075 24.330 9.483 1.00 0.00 S ATOM 347 CE MET A 23 -29.497 25.525 8.280 1.00 0.00 C ATOM 0 H MET A 23 -28.249 26.551 11.400 1.00 0.00 H new ATOM 0 HA MET A 23 -27.871 23.763 12.303 1.00 0.00 H new ATOM 0 HB2 MET A 23 -27.287 25.056 9.628 1.00 0.00 H new ATOM 0 HB3 MET A 23 -26.490 23.583 10.142 1.00 0.00 H new ATOM 0 HG2 MET A 23 -28.298 22.882 8.794 1.00 0.00 H new ATOM 0 HG3 MET A 23 -28.793 22.551 10.442 1.00 0.00 H new ATOM 0 HE1 MET A 23 -30.347 25.922 7.725 1.00 0.00 H new ATOM 0 HE2 MET A 23 -28.986 26.340 8.793 1.00 0.00 H new ATOM 0 HE3 MET A 23 -28.806 25.041 7.589 1.00 0.00 H new ATOM 357 N ALA A 24 -25.692 24.408 13.274 1.00 0.00 N ATOM 358 CA ALA A 24 -24.382 24.701 13.836 1.00 0.00 C ATOM 359 C ALA A 24 -23.799 23.453 14.485 1.00 0.00 C ATOM 360 O ALA A 24 -24.139 23.118 15.619 1.00 0.00 O ATOM 361 CB ALA A 24 -24.472 25.838 14.845 1.00 0.00 C ATOM 0 H ALA A 24 -26.197 23.661 13.752 1.00 0.00 H new ATOM 0 HA ALA A 24 -23.720 25.016 13.029 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -23.482 26.041 15.253 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -24.852 26.733 14.352 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -25.147 25.555 15.653 1.00 0.00 H new ATOM 367 N ALA A 25 -22.948 22.748 13.754 1.00 0.00 N ATOM 368 CA ALA A 25 -22.361 21.518 14.254 1.00 0.00 C ATOM 369 C ALA A 25 -20.906 21.406 13.839 1.00 0.00 C ATOM 370 O ALA A 25 -20.447 22.113 12.941 1.00 0.00 O ATOM 371 CB ALA A 25 -23.152 20.317 13.757 1.00 0.00 C ATOM 0 H ALA A 25 -22.650 23.008 12.814 1.00 0.00 H new ATOM 0 HA ALA A 25 -22.401 21.536 15.343 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -22.701 19.401 14.139 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -24.181 20.389 14.108 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -23.141 20.300 12.667 1.00 0.00 H new ATOM 377 N ARG A 26 -20.181 20.525 14.509 1.00 0.00 N ATOM 378 CA ARG A 26 -18.798 20.264 14.172 1.00 0.00 C ATOM 379 C ARG A 26 -18.616 18.784 13.861 1.00 0.00 C ATOM 380 O ARG A 26 -18.849 17.917 14.705 1.00 0.00 O ATOM 381 CB ARG A 26 -17.874 20.731 15.299 1.00 0.00 C ATOM 382 CG ARG A 26 -18.199 20.144 16.664 1.00 0.00 C ATOM 383 CD ARG A 26 -17.626 21.003 17.780 1.00 0.00 C ATOM 384 NE ARG A 26 -16.222 21.338 17.546 1.00 0.00 N ATOM 385 CZ ARG A 26 -15.746 22.583 17.539 1.00 0.00 C ATOM 386 NH1 ARG A 26 -16.562 23.611 17.754 1.00 0.00 N ATOM 387 NH2 ARG A 26 -14.457 22.796 17.306 1.00 0.00 N ATOM 0 H ARG A 26 -20.534 19.977 15.294 1.00 0.00 H new ATOM 0 HA ARG A 26 -18.527 20.830 13.281 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -16.847 20.472 15.041 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.922 21.818 15.364 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -19.280 20.064 16.781 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.795 19.134 16.734 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -18.208 21.920 17.867 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -17.720 20.475 18.729 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.568 20.573 17.378 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -17.554 23.447 17.925 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.196 24.563 17.748 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.833 22.008 17.133 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.090 23.748 17.300 1.00 0.00 H new ATOM 401 N ILE A 27 -18.215 18.511 12.632 1.00 0.00 N ATOM 402 CA ILE A 27 -18.224 17.158 12.098 1.00 0.00 C ATOM 403 C ILE A 27 -16.932 16.414 12.417 1.00 0.00 C ATOM 404 O ILE A 27 -15.833 16.895 12.135 1.00 0.00 O ATOM 405 CB ILE A 27 -18.454 17.157 10.561 1.00 0.00 C ATOM 406 CG1 ILE A 27 -19.888 17.589 10.213 1.00 0.00 C ATOM 407 CG2 ILE A 27 -18.162 15.787 9.959 1.00 0.00 C ATOM 408 CD1 ILE A 27 -20.156 19.068 10.397 1.00 0.00 C ATOM 0 H ILE A 27 -17.875 19.216 11.978 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.052 16.640 12.582 1.00 0.00 H new ATOM 0 HB ILE A 27 -17.760 17.879 10.131 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -20.094 17.321 9.177 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -20.585 17.026 10.833 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -18.332 15.819 8.883 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.124 15.517 10.155 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -18.821 15.044 10.409 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -21.190 19.286 10.130 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.985 19.342 11.438 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.486 19.642 9.756 1.00 0.00 H new ATOM 420 N THR A 28 -17.078 15.239 13.013 1.00 0.00 N ATOM 421 CA THR A 28 -15.953 14.356 13.250 1.00 0.00 C ATOM 422 C THR A 28 -15.794 13.408 12.065 1.00 0.00 C ATOM 423 O THR A 28 -16.667 12.575 11.804 1.00 0.00 O ATOM 424 CB THR A 28 -16.146 13.540 14.542 1.00 0.00 C ATOM 425 OG1 THR A 28 -16.461 14.423 15.628 1.00 0.00 O ATOM 426 CG2 THR A 28 -14.891 12.741 14.876 1.00 0.00 C ATOM 0 H THR A 28 -17.973 14.876 13.342 1.00 0.00 H new ATOM 0 HA THR A 28 -15.057 14.965 13.364 1.00 0.00 H new ATOM 0 HB THR A 28 -16.967 12.840 14.387 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.585 13.901 16.448 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.054 12.174 15.792 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.669 12.054 14.059 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.052 13.423 15.015 1.00 0.00 H new ATOM 434 N GLY A 29 -14.699 13.549 11.339 1.00 0.00 N ATOM 435 CA GLY A 29 -14.496 12.743 10.157 1.00 0.00 C ATOM 436 C GLY A 29 -13.249 11.896 10.243 1.00 0.00 C ATOM 437 O GLY A 29 -12.312 12.225 10.976 1.00 0.00 O ATOM 0 H GLY A 29 -13.947 14.207 11.547 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.361 12.097 10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.431 13.393 9.285 1.00 0.00 H new ATOM 441 N GLU A 30 -13.236 10.804 9.496 1.00 0.00 N ATOM 442 CA GLU A 30 -12.077 9.932 9.427 1.00 0.00 C ATOM 443 C GLU A 30 -11.595 9.823 7.984 1.00 0.00 C ATOM 444 O GLU A 30 -12.003 8.920 7.253 1.00 0.00 O ATOM 445 CB GLU A 30 -12.404 8.542 9.979 1.00 0.00 C ATOM 446 CG GLU A 30 -12.854 8.549 11.431 1.00 0.00 C ATOM 447 CD GLU A 30 -13.026 7.153 11.984 1.00 0.00 C ATOM 448 OE1 GLU A 30 -12.013 6.545 12.393 1.00 0.00 O ATOM 449 OE2 GLU A 30 -14.169 6.652 12.018 1.00 0.00 O ATOM 0 H GLU A 30 -14.024 10.499 8.924 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.285 10.363 10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.187 8.094 9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.523 7.907 9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.123 9.089 12.033 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.797 9.089 11.514 1.00 0.00 H new ATOM 457 N PRO A 31 -10.748 10.767 7.543 1.00 0.00 N ATOM 458 CA PRO A 31 -10.225 10.779 6.175 1.00 0.00 C ATOM 459 C PRO A 31 -9.313 9.585 5.913 1.00 0.00 C ATOM 460 O PRO A 31 -8.138 9.589 6.284 1.00 0.00 O ATOM 461 CB PRO A 31 -9.439 12.092 6.092 1.00 0.00 C ATOM 462 CG PRO A 31 -9.102 12.429 7.504 1.00 0.00 C ATOM 463 CD PRO A 31 -10.222 11.885 8.345 1.00 0.00 C ATOM 0 HA PRO A 31 -11.018 10.710 5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.539 11.976 5.488 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -10.034 12.880 5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.149 11.987 7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.006 13.507 7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.865 11.547 9.318 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.987 12.639 8.531 1.00 0.00 H new ATOM 471 N SER A 32 -9.866 8.556 5.297 1.00 0.00 N ATOM 472 CA SER A 32 -9.141 7.320 5.085 1.00 0.00 C ATOM 473 C SER A 32 -8.651 7.207 3.645 1.00 0.00 C ATOM 474 O SER A 32 -9.449 7.087 2.711 1.00 0.00 O ATOM 475 CB SER A 32 -10.044 6.137 5.434 1.00 0.00 C ATOM 476 OG SER A 32 -10.618 6.308 6.721 1.00 0.00 O ATOM 0 H SER A 32 -10.819 8.554 4.934 1.00 0.00 H new ATOM 0 HA SER A 32 -8.265 7.314 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.833 6.042 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.467 5.212 5.407 1.00 0.00 H new ATOM 0 HG SER A 32 -11.171 7.117 6.728 1.00 0.00 H new ATOM 482 N LYS A 33 -7.341 7.279 3.466 1.00 0.00 N ATOM 483 CA LYS A 33 -6.740 7.017 2.170 1.00 0.00 C ATOM 484 C LYS A 33 -6.424 5.535 2.051 1.00 0.00 C ATOM 485 O LYS A 33 -6.764 4.748 2.936 1.00 0.00 O ATOM 486 CB LYS A 33 -5.472 7.851 1.961 1.00 0.00 C ATOM 487 CG LYS A 33 -5.746 9.276 1.513 1.00 0.00 C ATOM 488 CD LYS A 33 -4.454 10.025 1.233 1.00 0.00 C ATOM 489 CE LYS A 33 -4.710 11.363 0.554 1.00 0.00 C ATOM 490 NZ LYS A 33 -5.565 12.256 1.373 1.00 0.00 N ATOM 0 H LYS A 33 -6.675 7.516 4.202 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.451 7.303 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.906 7.875 2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.843 7.360 1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.364 9.265 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.312 9.799 2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.919 10.189 2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.810 9.414 0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.758 11.856 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.187 11.193 -0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.642 13.184 0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.512 11.838 1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.141 12.374 2.315 1.00 0.00 H new ATOM 504 N LYS A 34 -5.780 5.153 0.966 1.00 0.00 N ATOM 505 CA LYS A 34 -5.483 3.753 0.732 1.00 0.00 C ATOM 506 C LYS A 34 -4.060 3.432 1.167 1.00 0.00 C ATOM 507 O LYS A 34 -3.094 3.954 0.605 1.00 0.00 O ATOM 508 CB LYS A 34 -5.680 3.417 -0.745 1.00 0.00 C ATOM 509 CG LYS A 34 -5.695 1.928 -1.047 1.00 0.00 C ATOM 510 CD LYS A 34 -6.176 1.671 -2.464 1.00 0.00 C ATOM 511 CE LYS A 34 -7.558 2.270 -2.690 1.00 0.00 C ATOM 512 NZ LYS A 34 -7.981 2.171 -4.106 1.00 0.00 N ATOM 0 H LYS A 34 -5.454 5.787 0.237 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.167 3.145 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.619 3.855 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.883 3.886 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.694 1.516 -0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.345 1.415 -0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.470 2.100 -3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.206 0.598 -2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.283 1.757 -2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.554 3.317 -2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.953 2.528 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.342 2.738 -4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.945 1.177 -4.410 1.00 0.00 H new ATOM 526 N ALA A 35 -3.948 2.590 2.181 1.00 0.00 N ATOM 527 CA ALA A 35 -2.653 2.165 2.692 1.00 0.00 C ATOM 528 C ALA A 35 -2.289 0.802 2.121 1.00 0.00 C ATOM 529 O ALA A 35 -3.152 0.093 1.603 1.00 0.00 O ATOM 530 CB ALA A 35 -2.673 2.120 4.216 1.00 0.00 C ATOM 0 H ALA A 35 -4.745 2.184 2.671 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.897 2.886 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.698 1.801 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.901 3.112 4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.435 1.415 4.549 1.00 0.00 H new ATOM 536 N VAL A 36 -1.017 0.436 2.212 1.00 0.00 N ATOM 537 CA VAL A 36 -0.562 -0.841 1.683 1.00 0.00 C ATOM 538 C VAL A 36 -0.797 -1.943 2.704 1.00 0.00 C ATOM 539 O VAL A 36 -0.214 -1.934 3.791 1.00 0.00 O ATOM 540 CB VAL A 36 0.934 -0.813 1.307 1.00 0.00 C ATOM 541 CG1 VAL A 36 1.323 -2.077 0.551 1.00 0.00 C ATOM 542 CG2 VAL A 36 1.265 0.432 0.493 1.00 0.00 C ATOM 0 H VAL A 36 -0.287 1.002 2.644 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.137 -1.037 0.778 1.00 0.00 H new ATOM 0 HB VAL A 36 1.516 -0.777 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.382 -2.037 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.134 -2.949 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.732 -2.151 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.325 0.430 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.673 0.436 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.034 1.322 1.079 1.00 0.00 H new ATOM 552 N SER A 37 -1.655 -2.878 2.352 1.00 0.00 N ATOM 553 CA SER A 37 -1.999 -3.979 3.234 1.00 0.00 C ATOM 554 C SER A 37 -1.348 -5.267 2.744 1.00 0.00 C ATOM 555 O SER A 37 -1.248 -5.500 1.539 1.00 0.00 O ATOM 556 CB SER A 37 -3.522 -4.142 3.305 1.00 0.00 C ATOM 557 OG SER A 37 -3.889 -5.196 4.182 1.00 0.00 O ATOM 0 H SER A 37 -2.133 -2.898 1.451 1.00 0.00 H new ATOM 0 HA SER A 37 -1.626 -3.760 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.974 -3.210 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.915 -4.342 2.308 1.00 0.00 H new ATOM 0 HG SER A 37 -4.865 -5.275 4.208 1.00 0.00 H new ATOM 563 N ASP A 38 -0.911 -6.105 3.677 1.00 0.00 N ATOM 564 CA ASP A 38 -0.250 -7.356 3.326 1.00 0.00 C ATOM 565 C ASP A 38 -1.271 -8.441 3.022 1.00 0.00 C ATOM 566 O ASP A 38 -0.910 -9.567 2.693 1.00 0.00 O ATOM 567 CB ASP A 38 0.681 -7.825 4.449 1.00 0.00 C ATOM 568 CG ASP A 38 -0.054 -8.226 5.718 1.00 0.00 C ATOM 569 OD1 ASP A 38 -0.637 -9.331 5.762 1.00 0.00 O ATOM 570 OD2 ASP A 38 -0.029 -7.449 6.692 1.00 0.00 O ATOM 0 H ASP A 38 -1.002 -5.941 4.680 1.00 0.00 H new ATOM 0 HA ASP A 38 0.347 -7.170 2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.267 -8.673 4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.385 -7.027 4.683 1.00 0.00 H new ATOM 576 N ARG A 39 -2.549 -8.097 3.110 1.00 0.00 N ATOM 577 CA ARG A 39 -3.608 -9.068 2.882 1.00 0.00 C ATOM 578 C ARG A 39 -3.824 -9.304 1.393 1.00 0.00 C ATOM 579 O ARG A 39 -4.755 -9.999 0.985 1.00 0.00 O ATOM 580 CB ARG A 39 -4.904 -8.625 3.555 1.00 0.00 C ATOM 581 CG ARG A 39 -4.738 -8.355 5.039 1.00 0.00 C ATOM 582 CD ARG A 39 -6.066 -8.387 5.765 1.00 0.00 C ATOM 583 NE ARG A 39 -6.670 -9.717 5.734 1.00 0.00 N ATOM 584 CZ ARG A 39 -7.890 -9.990 6.187 1.00 0.00 C ATOM 585 NH1 ARG A 39 -8.639 -9.026 6.718 1.00 0.00 N ATOM 586 NH2 ARG A 39 -8.356 -11.229 6.114 1.00 0.00 N ATOM 0 H ARG A 39 -2.875 -7.158 3.337 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.298 -10.013 3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.271 -7.723 3.066 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.662 -9.395 3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.069 -9.098 5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.268 -7.382 5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.922 -8.077 6.800 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.747 -7.668 5.309 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.123 -10.483 5.341 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.278 -8.074 6.778 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.574 -9.239 7.064 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.779 -11.968 5.712 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.291 -11.443 6.460 1.00 0.00 H new ATOM 600 N LEU A 40 -2.952 -8.713 0.588 1.00 0.00 N ATOM 601 CA LEU A 40 -2.917 -8.981 -0.836 1.00 0.00 C ATOM 602 C LEU A 40 -2.131 -10.266 -1.080 1.00 0.00 C ATOM 603 O LEU A 40 -2.204 -10.869 -2.154 1.00 0.00 O ATOM 604 CB LEU A 40 -2.266 -7.814 -1.578 1.00 0.00 C ATOM 605 CG LEU A 40 -2.942 -6.452 -1.375 1.00 0.00 C ATOM 606 CD1 LEU A 40 -2.194 -5.359 -2.123 1.00 0.00 C ATOM 607 CD2 LEU A 40 -4.394 -6.500 -1.830 1.00 0.00 C ATOM 0 H LEU A 40 -2.255 -8.039 0.904 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.934 -9.099 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.226 -7.737 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.257 -8.042 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.917 -6.220 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.692 -4.403 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.170 -5.301 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.183 -5.589 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.855 -5.524 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.435 -6.760 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.932 -7.250 -1.251 1.00 0.00 H new ATOM 619 N ILE A 41 -1.388 -10.683 -0.062 1.00 0.00 N ATOM 620 CA ILE A 41 -0.599 -11.903 -0.133 1.00 0.00 C ATOM 621 C ILE A 41 -1.499 -13.116 0.012 1.00 0.00 C ATOM 622 O ILE A 41 -2.253 -13.240 0.981 1.00 0.00 O ATOM 623 CB ILE A 41 0.491 -11.938 0.956 1.00 0.00 C ATOM 624 CG1 ILE A 41 1.378 -10.694 0.862 1.00 0.00 C ATOM 625 CG2 ILE A 41 1.337 -13.207 0.846 1.00 0.00 C ATOM 626 CD1 ILE A 41 2.028 -10.508 -0.488 1.00 0.00 C ATOM 0 H ILE A 41 -1.317 -10.189 0.828 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.109 -11.922 -1.106 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.002 -11.944 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.778 -9.813 1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.155 -10.755 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.098 -13.206 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.698 -14.082 0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.819 -13.239 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.640 -9.606 -0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.657 -11.370 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.257 -10.413 -1.253 1.00 0.00 H new ATOM 638 N GLY A 42 -1.423 -14.006 -0.962 1.00 0.00 N ATOM 639 CA GLY A 42 -2.266 -15.179 -0.957 1.00 0.00 C ATOM 640 C GLY A 42 -3.492 -14.997 -1.823 1.00 0.00 C ATOM 641 O GLY A 42 -4.329 -15.891 -1.926 1.00 0.00 O ATOM 0 H GLY A 42 -0.790 -13.936 -1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.695 -16.037 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.573 -15.401 0.065 1.00 0.00 H new ATOM 645 N ARG A 43 -3.606 -13.830 -2.437 1.00 0.00 N ATOM 646 CA ARG A 43 -4.709 -13.551 -3.341 1.00 0.00 C ATOM 647 C ARG A 43 -4.302 -13.868 -4.772 1.00 0.00 C ATOM 648 O ARG A 43 -3.114 -13.832 -5.112 1.00 0.00 O ATOM 649 CB ARG A 43 -5.138 -12.084 -3.251 1.00 0.00 C ATOM 650 CG ARG A 43 -5.544 -11.639 -1.854 1.00 0.00 C ATOM 651 CD ARG A 43 -6.840 -12.298 -1.406 1.00 0.00 C ATOM 652 NE ARG A 43 -7.225 -11.875 -0.060 1.00 0.00 N ATOM 653 CZ ARG A 43 -8.430 -11.403 0.259 1.00 0.00 C ATOM 654 NH1 ARG A 43 -9.361 -11.242 -0.678 1.00 0.00 N ATOM 655 NH2 ARG A 43 -8.698 -11.071 1.518 1.00 0.00 N ATOM 0 H ARG A 43 -2.947 -13.060 -2.325 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.550 -14.179 -3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.318 -11.455 -3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.974 -11.919 -3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.749 -11.884 -1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.662 -10.556 -1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.636 -12.049 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.724 -13.382 -1.428 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.528 -11.946 0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.155 -11.480 -1.648 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.281 -10.880 -0.426 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.982 -11.178 2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.619 -10.710 1.765 1.00 0.00 H new ATOM 669 N LYS A 44 -5.284 -14.184 -5.595 1.00 0.00 N ATOM 670 CA LYS A 44 -5.050 -14.453 -6.996 1.00 0.00 C ATOM 671 C LYS A 44 -5.082 -13.151 -7.783 1.00 0.00 C ATOM 672 O LYS A 44 -5.866 -12.249 -7.483 1.00 0.00 O ATOM 673 CB LYS A 44 -6.111 -15.436 -7.509 1.00 0.00 C ATOM 674 CG LYS A 44 -5.907 -15.905 -8.940 1.00 0.00 C ATOM 675 CD LYS A 44 -6.588 -14.996 -9.953 1.00 0.00 C ATOM 676 CE LYS A 44 -8.105 -15.101 -9.874 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.587 -16.465 -10.226 1.00 0.00 N ATOM 0 H LYS A 44 -6.261 -14.260 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.067 -14.904 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.125 -16.308 -6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.091 -14.964 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.840 -15.949 -9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.296 -16.918 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.285 -13.964 -9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.257 -15.259 -10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.434 -14.849 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.555 -14.372 -10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.572 -16.411 -10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.991 -16.860 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.536 -17.078 -9.388 1.00 0.00 H new ATOM 691 N GLY A 45 -4.226 -13.062 -8.783 1.00 0.00 N ATOM 692 CA GLY A 45 -4.190 -11.903 -9.632 1.00 0.00 C ATOM 693 C GLY A 45 -4.162 -12.291 -11.092 1.00 0.00 C ATOM 694 O GLY A 45 -3.869 -13.437 -11.431 1.00 0.00 O ATOM 0 H GLY A 45 -3.547 -13.785 -9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.062 -11.279 -9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.310 -11.304 -9.396 1.00 0.00 H new ATOM 698 N VAL A 46 -4.472 -11.345 -11.949 1.00 0.00 N ATOM 699 CA VAL A 46 -4.500 -11.586 -13.382 1.00 0.00 C ATOM 700 C VAL A 46 -3.460 -10.720 -14.084 1.00 0.00 C ATOM 701 O VAL A 46 -3.228 -9.570 -13.700 1.00 0.00 O ATOM 702 CB VAL A 46 -5.909 -11.303 -13.961 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.279 -9.833 -13.820 1.00 0.00 C ATOM 704 CG2 VAL A 46 -6.011 -11.758 -15.409 1.00 0.00 C ATOM 0 H VAL A 46 -4.711 -10.391 -11.679 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.262 -12.635 -13.556 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.626 -11.882 -13.380 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.273 -9.667 -14.235 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.275 -9.556 -12.766 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.554 -9.222 -14.358 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.011 -11.546 -15.787 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.275 -11.225 -16.011 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.820 -12.830 -15.468 1.00 0.00 H new ATOM 714 N VAL A 47 -2.836 -11.271 -15.107 1.00 0.00 N ATOM 715 CA VAL A 47 -1.786 -10.567 -15.824 1.00 0.00 C ATOM 716 C VAL A 47 -2.374 -9.701 -16.934 1.00 0.00 C ATOM 717 O VAL A 47 -2.899 -10.214 -17.921 1.00 0.00 O ATOM 718 CB VAL A 47 -0.762 -11.552 -16.424 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.361 -10.804 -17.123 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.203 -12.466 -15.345 1.00 0.00 C ATOM 0 H VAL A 47 -3.037 -12.206 -15.462 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.274 -9.927 -15.106 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.275 -12.166 -17.164 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.071 -11.519 -17.538 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.053 -10.195 -17.927 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.871 -10.161 -16.406 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.518 -13.154 -15.788 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.290 -11.866 -14.580 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.016 -13.034 -14.892 1.00 0.00 H new ATOM 730 N MET A 48 -2.299 -8.389 -16.748 1.00 0.00 N ATOM 731 CA MET A 48 -2.794 -7.434 -17.732 1.00 0.00 C ATOM 732 C MET A 48 -1.664 -7.011 -18.663 1.00 0.00 C ATOM 733 O MET A 48 -1.889 -6.699 -19.834 1.00 0.00 O ATOM 734 CB MET A 48 -3.395 -6.207 -17.037 1.00 0.00 C ATOM 735 CG MET A 48 -4.595 -6.503 -16.144 1.00 0.00 C ATOM 736 SD MET A 48 -6.120 -6.842 -17.051 1.00 0.00 S ATOM 737 CE MET A 48 -5.912 -8.560 -17.521 1.00 0.00 C ATOM 0 H MET A 48 -1.896 -7.959 -15.916 1.00 0.00 H new ATOM 0 HA MET A 48 -3.576 -7.914 -18.320 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.620 -5.732 -16.435 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.695 -5.486 -17.798 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.362 -7.360 -15.512 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.760 -5.654 -15.481 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.831 -9.108 -17.314 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.685 -8.621 -18.585 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.093 -8.997 -16.950 1.00 0.00 H new ATOM 747 N GLU A 49 -0.451 -7.010 -18.132 1.00 0.00 N ATOM 748 CA GLU A 49 0.735 -6.721 -18.920 1.00 0.00 C ATOM 749 C GLU A 49 1.785 -7.785 -18.648 1.00 0.00 C ATOM 750 O GLU A 49 1.968 -8.192 -17.500 1.00 0.00 O ATOM 751 CB GLU A 49 1.285 -5.330 -18.588 1.00 0.00 C ATOM 752 CG GLU A 49 2.560 -4.977 -19.340 1.00 0.00 C ATOM 753 CD GLU A 49 2.395 -5.009 -20.849 1.00 0.00 C ATOM 754 OE1 GLU A 49 2.273 -6.114 -21.419 1.00 0.00 O ATOM 755 OE2 GLU A 49 2.416 -3.931 -21.477 1.00 0.00 O ATOM 0 H GLU A 49 -0.262 -7.208 -17.149 1.00 0.00 H new ATOM 0 HA GLU A 49 0.471 -6.731 -19.978 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.523 -4.585 -18.815 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.478 -5.272 -17.517 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.888 -3.982 -19.038 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.348 -5.673 -19.053 1.00 0.00 H new ATOM 763 N ALA A 50 2.458 -8.224 -19.705 1.00 0.00 N ATOM 764 CA ALA A 50 3.407 -9.328 -19.628 1.00 0.00 C ATOM 765 C ALA A 50 4.513 -9.056 -18.616 1.00 0.00 C ATOM 766 O ALA A 50 5.092 -7.970 -18.580 1.00 0.00 O ATOM 767 CB ALA A 50 4.008 -9.602 -20.994 1.00 0.00 C ATOM 0 H ALA A 50 2.361 -7.825 -20.639 1.00 0.00 H new ATOM 0 HA ALA A 50 2.858 -10.208 -19.292 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.715 -10.429 -20.921 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.215 -9.863 -21.695 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.527 -8.711 -21.349 1.00 0.00 H new ATOM 773 N ILE A 51 4.800 -10.055 -17.803 1.00 0.00 N ATOM 774 CA ILE A 51 5.821 -9.946 -16.778 1.00 0.00 C ATOM 775 C ILE A 51 7.097 -10.627 -17.247 1.00 0.00 C ATOM 776 O ILE A 51 7.106 -11.835 -17.473 1.00 0.00 O ATOM 777 CB ILE A 51 5.354 -10.605 -15.465 1.00 0.00 C ATOM 778 CG1 ILE A 51 4.032 -9.991 -15.002 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.418 -10.455 -14.385 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.367 -10.747 -13.869 1.00 0.00 C ATOM 0 H ILE A 51 4.334 -10.962 -17.834 1.00 0.00 H new ATOM 0 HA ILE A 51 6.007 -8.888 -16.596 1.00 0.00 H new ATOM 0 HB ILE A 51 5.197 -11.668 -15.648 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.211 -8.964 -14.684 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.347 -9.948 -15.848 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.072 -10.926 -13.465 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.340 -10.935 -14.713 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.605 -9.397 -14.203 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.436 -10.250 -13.597 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.154 -11.767 -14.188 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.032 -10.768 -13.006 1.00 0.00 H new ATOM 792 N SER A 52 8.161 -9.853 -17.417 1.00 0.00 N ATOM 793 CA SER A 52 9.431 -10.404 -17.855 1.00 0.00 C ATOM 794 C SER A 52 10.533 -10.009 -16.875 1.00 0.00 C ATOM 795 O SER A 52 10.332 -9.143 -16.023 1.00 0.00 O ATOM 796 CB SER A 52 9.759 -9.908 -19.264 1.00 0.00 C ATOM 797 OG SER A 52 8.571 -9.588 -19.969 1.00 0.00 O ATOM 0 H SER A 52 8.167 -8.845 -17.258 1.00 0.00 H new ATOM 0 HA SER A 52 9.361 -11.491 -17.880 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.402 -9.030 -19.206 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.314 -10.674 -19.805 1.00 0.00 H new ATOM 0 HG SER A 52 8.799 -9.271 -20.868 1.00 0.00 H new ATOM 803 N PRO A 53 11.704 -10.653 -16.972 1.00 0.00 N ATOM 804 CA PRO A 53 12.828 -10.399 -16.067 1.00 0.00 C ATOM 805 C PRO A 53 13.369 -8.979 -16.204 1.00 0.00 C ATOM 806 O PRO A 53 13.800 -8.370 -15.225 1.00 0.00 O ATOM 807 CB PRO A 53 13.895 -11.412 -16.500 1.00 0.00 C ATOM 808 CG PRO A 53 13.191 -12.395 -17.372 1.00 0.00 C ATOM 809 CD PRO A 53 12.033 -11.663 -17.983 1.00 0.00 C ATOM 0 HA PRO A 53 12.529 -10.501 -15.024 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.705 -10.921 -17.039 1.00 0.00 H new ATOM 0 HB3 PRO A 53 14.340 -11.905 -15.636 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.859 -12.779 -18.143 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.847 -13.252 -16.793 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.302 -11.206 -18.935 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.192 -12.329 -18.175 1.00 0.00 H new ATOM 817 N GLN A 54 13.332 -8.454 -17.423 1.00 0.00 N ATOM 818 CA GLN A 54 13.861 -7.125 -17.694 1.00 0.00 C ATOM 819 C GLN A 54 12.825 -6.039 -17.407 1.00 0.00 C ATOM 820 O GLN A 54 13.149 -5.022 -16.792 1.00 0.00 O ATOM 821 CB GLN A 54 14.342 -7.027 -19.144 1.00 0.00 C ATOM 822 CG GLN A 54 14.901 -5.660 -19.519 1.00 0.00 C ATOM 823 CD GLN A 54 15.457 -5.620 -20.927 1.00 0.00 C ATOM 824 OE1 GLN A 54 15.965 -6.617 -21.443 1.00 0.00 O ATOM 825 NE2 GLN A 54 15.362 -4.464 -21.564 1.00 0.00 N ATOM 0 H GLN A 54 12.942 -8.928 -18.237 1.00 0.00 H new ATOM 0 HA GLN A 54 14.708 -6.964 -17.027 1.00 0.00 H new ATOM 0 HB2 GLN A 54 15.110 -7.781 -19.313 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.511 -7.263 -19.809 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.114 -4.912 -19.422 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.687 -5.388 -18.815 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.935 -3.661 -21.103 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.716 -4.376 -22.516 1.00 0.00 H new ATOM 834 N ASN A 55 11.585 -6.250 -17.837 1.00 0.00 N ATOM 835 CA ASN A 55 10.552 -5.235 -17.680 1.00 0.00 C ATOM 836 C ASN A 55 9.368 -5.792 -16.906 1.00 0.00 C ATOM 837 O ASN A 55 8.810 -6.834 -17.268 1.00 0.00 O ATOM 838 CB ASN A 55 10.105 -4.713 -19.049 1.00 0.00 C ATOM 839 CG ASN A 55 9.132 -3.550 -18.948 1.00 0.00 C ATOM 840 OD1 ASN A 55 9.542 -2.397 -18.812 1.00 0.00 O ATOM 841 ND2 ASN A 55 7.840 -3.837 -19.034 1.00 0.00 N ATOM 0 H ASN A 55 11.274 -7.108 -18.293 1.00 0.00 H new ATOM 0 HA ASN A 55 10.969 -4.403 -17.113 1.00 0.00 H new ATOM 0 HB2 ASN A 55 10.981 -4.399 -19.617 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.637 -5.524 -19.607 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.147 -3.090 -18.988 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.539 -4.805 -19.146 1.00 0.00 H new ATOM 848 N SER A 56 8.992 -5.097 -15.841 1.00 0.00 N ATOM 849 CA SER A 56 7.933 -5.549 -14.953 1.00 0.00 C ATOM 850 C SER A 56 6.587 -5.601 -15.675 1.00 0.00 C ATOM 851 O SER A 56 6.344 -4.845 -16.621 1.00 0.00 O ATOM 852 CB SER A 56 7.827 -4.606 -13.756 1.00 0.00 C ATOM 853 OG SER A 56 9.108 -4.200 -13.301 1.00 0.00 O ATOM 0 H SER A 56 9.411 -4.208 -15.570 1.00 0.00 H new ATOM 0 HA SER A 56 8.183 -6.555 -14.616 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.243 -3.728 -14.033 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.292 -5.102 -12.946 1.00 0.00 H new ATOM 0 HG SER A 56 9.007 -3.596 -12.536 1.00 0.00 H new ATOM 859 N GLY A 57 5.719 -6.485 -15.216 1.00 0.00 N ATOM 860 CA GLY A 57 4.397 -6.600 -15.796 1.00 0.00 C ATOM 861 C GLY A 57 3.345 -5.961 -14.914 1.00 0.00 C ATOM 862 O GLY A 57 3.664 -5.453 -13.840 1.00 0.00 O ATOM 0 H GLY A 57 5.906 -7.129 -14.448 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.387 -6.126 -16.777 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.156 -7.652 -15.948 1.00 0.00 H new ATOM 866 N LEU A 58 2.098 -5.986 -15.353 1.00 0.00 N ATOM 867 CA LEU A 58 1.019 -5.374 -14.592 1.00 0.00 C ATOM 868 C LEU A 58 -0.042 -6.401 -14.219 1.00 0.00 C ATOM 869 O LEU A 58 -0.576 -7.103 -15.079 1.00 0.00 O ATOM 870 CB LEU A 58 0.378 -4.232 -15.385 1.00 0.00 C ATOM 871 CG LEU A 58 1.287 -3.041 -15.666 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.571 -2.023 -16.538 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.739 -2.398 -14.363 1.00 0.00 C ATOM 0 H LEU A 58 1.807 -6.421 -16.228 1.00 0.00 H new ATOM 0 HA LEU A 58 1.450 -4.972 -13.675 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.022 -4.628 -16.336 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.497 -3.879 -14.839 1.00 0.00 H new ATOM 0 HG LEU A 58 2.168 -3.397 -16.200 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.233 -1.179 -16.730 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.291 -2.487 -17.484 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.325 -1.672 -16.027 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.387 -1.549 -14.582 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.868 -2.055 -13.805 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.286 -3.129 -13.767 1.00 0.00 H new ATOM 885 N VAL A 59 -0.331 -6.483 -12.933 1.00 0.00 N ATOM 886 CA VAL A 59 -1.393 -7.333 -12.422 1.00 0.00 C ATOM 887 C VAL A 59 -2.482 -6.442 -11.852 1.00 0.00 C ATOM 888 O VAL A 59 -2.229 -5.280 -11.530 1.00 0.00 O ATOM 889 CB VAL A 59 -0.878 -8.279 -11.315 1.00 0.00 C ATOM 890 CG1 VAL A 59 -1.923 -9.306 -10.919 1.00 0.00 C ATOM 891 CG2 VAL A 59 0.408 -8.967 -11.739 1.00 0.00 C ATOM 0 H VAL A 59 0.165 -5.961 -12.211 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.775 -7.948 -13.237 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.669 -7.663 -10.440 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.521 -9.952 -10.138 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.811 -8.796 -10.547 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.188 -9.909 -11.788 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.748 -9.627 -10.941 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.228 -9.552 -12.641 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.173 -8.217 -11.940 1.00 0.00 H new ATOM 901 N LYS A 60 -3.682 -6.963 -11.726 1.00 0.00 N ATOM 902 CA LYS A 60 -4.778 -6.173 -11.195 1.00 0.00 C ATOM 903 C LYS A 60 -5.461 -6.911 -10.057 1.00 0.00 C ATOM 904 O LYS A 60 -5.956 -8.024 -10.227 1.00 0.00 O ATOM 905 CB LYS A 60 -5.780 -5.809 -12.296 1.00 0.00 C ATOM 906 CG LYS A 60 -6.850 -4.833 -11.832 1.00 0.00 C ATOM 907 CD LYS A 60 -7.673 -4.298 -12.992 1.00 0.00 C ATOM 908 CE LYS A 60 -8.719 -3.304 -12.511 1.00 0.00 C ATOM 909 NZ LYS A 60 -9.506 -2.731 -13.633 1.00 0.00 N ATOM 0 H LYS A 60 -3.926 -7.920 -11.980 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.369 -5.242 -10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.242 -5.375 -13.139 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.259 -6.719 -12.658 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.508 -5.329 -11.119 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.380 -4.002 -11.307 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.016 -3.817 -13.716 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.163 -5.125 -13.506 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.393 -3.798 -11.812 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.228 -2.498 -11.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.206 -2.059 -13.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.867 -2.236 -14.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.996 -3.496 -14.139 1.00 0.00 H new ATOM 923 N VAL A 61 -5.460 -6.287 -8.888 1.00 0.00 N ATOM 924 CA VAL A 61 -6.077 -6.867 -7.709 1.00 0.00 C ATOM 925 C VAL A 61 -7.341 -6.098 -7.354 1.00 0.00 C ATOM 926 O VAL A 61 -7.266 -4.979 -6.840 1.00 0.00 O ATOM 927 CB VAL A 61 -5.116 -6.864 -6.496 1.00 0.00 C ATOM 928 CG1 VAL A 61 -5.751 -7.569 -5.308 1.00 0.00 C ATOM 929 CG2 VAL A 61 -3.787 -7.518 -6.859 1.00 0.00 C ATOM 0 H VAL A 61 -5.035 -5.373 -8.733 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.323 -7.903 -7.943 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.922 -5.828 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.060 -7.556 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.672 -7.056 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.978 -8.601 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.126 -7.505 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.961 -8.549 -7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.322 -6.968 -7.677 1.00 0.00 H new ATOM 939 N ASP A 62 -8.490 -6.693 -7.678 1.00 0.00 N ATOM 940 CA ASP A 62 -9.807 -6.109 -7.393 1.00 0.00 C ATOM 941 C ASP A 62 -10.053 -4.850 -8.214 1.00 0.00 C ATOM 942 O ASP A 62 -10.804 -4.872 -9.185 1.00 0.00 O ATOM 943 CB ASP A 62 -9.977 -5.810 -5.899 1.00 0.00 C ATOM 944 CG ASP A 62 -11.340 -5.224 -5.580 1.00 0.00 C ATOM 945 OD1 ASP A 62 -12.321 -5.998 -5.511 1.00 0.00 O ATOM 946 OD2 ASP A 62 -11.442 -3.993 -5.382 1.00 0.00 O ATOM 0 H ASP A 62 -8.536 -7.597 -8.147 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.551 -6.852 -7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.836 -6.728 -5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.201 -5.114 -5.579 1.00 0.00 H new ATOM 952 N GLY A 63 -9.414 -3.763 -7.832 1.00 0.00 N ATOM 953 CA GLY A 63 -9.605 -2.509 -8.530 1.00 0.00 C ATOM 954 C GLY A 63 -8.313 -1.742 -8.725 1.00 0.00 C ATOM 955 O GLY A 63 -8.311 -0.671 -9.328 1.00 0.00 O ATOM 0 H GLY A 63 -8.763 -3.722 -7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.056 -2.705 -9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.308 -1.891 -7.971 1.00 0.00 H new ATOM 959 N GLU A 64 -7.211 -2.287 -8.219 1.00 0.00 N ATOM 960 CA GLU A 64 -5.917 -1.629 -8.317 1.00 0.00 C ATOM 961 C GLU A 64 -4.984 -2.383 -9.255 1.00 0.00 C ATOM 962 O GLU A 64 -4.923 -3.614 -9.227 1.00 0.00 O ATOM 963 CB GLU A 64 -5.272 -1.533 -6.937 1.00 0.00 C ATOM 964 CG GLU A 64 -6.068 -0.704 -5.951 1.00 0.00 C ATOM 965 CD GLU A 64 -6.231 0.727 -6.406 1.00 0.00 C ATOM 966 OE1 GLU A 64 -5.217 1.442 -6.511 1.00 0.00 O ATOM 967 OE2 GLU A 64 -7.380 1.154 -6.644 1.00 0.00 O ATOM 0 H GLU A 64 -7.191 -3.185 -7.736 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.082 -0.629 -8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.145 -2.538 -6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.276 -1.102 -7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.051 -1.153 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.571 -0.720 -4.981 1.00 0.00 H new ATOM 975 N THR A 65 -4.259 -1.641 -10.078 1.00 0.00 N ATOM 976 CA THR A 65 -3.262 -2.224 -10.956 1.00 0.00 C ATOM 977 C THR A 65 -1.874 -2.073 -10.344 1.00 0.00 C ATOM 978 O THR A 65 -1.412 -0.964 -10.070 1.00 0.00 O ATOM 979 CB THR A 65 -3.284 -1.570 -12.349 1.00 0.00 C ATOM 980 OG1 THR A 65 -4.628 -1.549 -12.853 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.387 -2.327 -13.322 1.00 0.00 C ATOM 0 H THR A 65 -4.345 -0.628 -10.155 1.00 0.00 H new ATOM 0 HA THR A 65 -3.501 -3.281 -11.072 1.00 0.00 H new ATOM 0 HB THR A 65 -2.909 -0.551 -12.254 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.639 -1.130 -13.739 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.421 -1.844 -14.299 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.362 -2.323 -12.950 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.736 -3.356 -13.413 1.00 0.00 H new ATOM 989 N TRP A 66 -1.225 -3.196 -10.122 1.00 0.00 N ATOM 990 CA TRP A 66 0.089 -3.222 -9.507 1.00 0.00 C ATOM 991 C TRP A 66 1.107 -3.798 -10.475 1.00 0.00 C ATOM 992 O TRP A 66 0.748 -4.480 -11.434 1.00 0.00 O ATOM 993 CB TRP A 66 0.071 -4.063 -8.227 1.00 0.00 C ATOM 994 CG TRP A 66 -0.746 -3.471 -7.115 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.076 -3.670 -6.876 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.280 -2.590 -6.088 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.464 -2.962 -5.764 1.00 0.00 N ATOM 998 CE2 TRP A 66 -1.382 -2.290 -5.263 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.959 -2.021 -5.789 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -1.279 -1.448 -4.158 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 1.063 -1.188 -4.690 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -0.050 -0.909 -3.885 1.00 0.00 C ATOM 0 H TRP A 66 -1.591 -4.117 -10.362 1.00 0.00 H new ATOM 0 HA TRP A 66 0.366 -2.199 -9.253 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.318 -5.054 -8.462 1.00 0.00 H new ATOM 0 HB3 TRP A 66 1.095 -4.197 -7.879 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.727 -4.292 -7.473 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.407 -2.941 -5.375 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.822 -2.228 -6.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -2.137 -1.228 -3.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 2.018 -0.745 -4.448 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.064 -0.256 -3.032 1.00 0.00 H new ATOM 1013 N ARG A 67 2.377 -3.528 -10.227 1.00 0.00 N ATOM 1014 CA ARG A 67 3.432 -4.099 -11.042 1.00 0.00 C ATOM 1015 C ARG A 67 3.798 -5.458 -10.478 1.00 0.00 C ATOM 1016 O ARG A 67 3.479 -5.757 -9.327 1.00 0.00 O ATOM 1017 CB ARG A 67 4.677 -3.200 -11.076 1.00 0.00 C ATOM 1018 CG ARG A 67 4.471 -1.847 -11.747 1.00 0.00 C ATOM 1019 CD ARG A 67 3.602 -0.926 -10.909 1.00 0.00 C ATOM 1020 NE ARG A 67 3.566 0.436 -11.437 1.00 0.00 N ATOM 1021 CZ ARG A 67 2.602 1.315 -11.162 1.00 0.00 C ATOM 1022 NH1 ARG A 67 1.572 0.964 -10.395 1.00 0.00 N ATOM 1023 NH2 ARG A 67 2.671 2.546 -11.654 1.00 0.00 N ATOM 0 H ARG A 67 2.700 -2.921 -9.473 1.00 0.00 H new ATOM 0 HA ARG A 67 3.068 -4.192 -12.065 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.016 -3.035 -10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.476 -3.729 -11.595 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.439 -1.376 -11.919 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.009 -1.993 -12.724 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.588 -1.324 -10.868 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.978 -0.907 -9.886 1.00 0.00 H new ATOM 0 HE ARG A 67 4.324 0.732 -12.053 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.518 0.019 -10.015 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.837 1.640 -10.187 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.460 2.817 -12.241 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.935 3.221 -11.445 1.00 0.00 H new ATOM 1037 N ALA A 68 4.450 -6.277 -11.271 1.00 0.00 N ATOM 1038 CA ALA A 68 4.859 -7.589 -10.808 1.00 0.00 C ATOM 1039 C ALA A 68 6.185 -8.013 -11.413 1.00 0.00 C ATOM 1040 O ALA A 68 6.499 -7.670 -12.556 1.00 0.00 O ATOM 1041 CB ALA A 68 3.787 -8.617 -11.117 1.00 0.00 C ATOM 0 H ALA A 68 4.709 -6.063 -12.234 1.00 0.00 H new ATOM 0 HA ALA A 68 4.994 -7.528 -9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.109 -9.596 -10.763 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.860 -8.337 -10.617 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.621 -8.657 -12.193 1.00 0.00 H new ATOM 1047 N THR A 69 6.960 -8.748 -10.630 1.00 0.00 N ATOM 1048 CA THR A 69 8.225 -9.299 -11.082 1.00 0.00 C ATOM 1049 C THR A 69 8.306 -10.773 -10.705 1.00 0.00 C ATOM 1050 O THR A 69 7.837 -11.170 -9.632 1.00 0.00 O ATOM 1051 CB THR A 69 9.427 -8.547 -10.468 1.00 0.00 C ATOM 1052 OG1 THR A 69 9.277 -8.474 -9.041 1.00 0.00 O ATOM 1053 CG2 THR A 69 9.552 -7.144 -11.047 1.00 0.00 C ATOM 0 H THR A 69 6.728 -8.978 -9.664 1.00 0.00 H new ATOM 0 HA THR A 69 8.270 -9.184 -12.165 1.00 0.00 H new ATOM 0 HB THR A 69 10.335 -9.098 -10.713 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.899 -9.100 -8.614 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.406 -6.639 -10.596 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.695 -7.207 -12.126 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.644 -6.580 -10.834 1.00 0.00 H new ATOM 1061 N SER A 70 8.878 -11.579 -11.582 1.00 0.00 N ATOM 1062 CA SER A 70 9.031 -12.997 -11.327 1.00 0.00 C ATOM 1063 C SER A 70 10.235 -13.519 -12.094 1.00 0.00 C ATOM 1064 O SER A 70 10.704 -12.875 -13.035 1.00 0.00 O ATOM 1065 CB SER A 70 7.762 -13.753 -11.741 1.00 0.00 C ATOM 1066 OG SER A 70 7.771 -15.084 -11.253 1.00 0.00 O ATOM 0 H SER A 70 9.246 -11.271 -12.482 1.00 0.00 H new ATOM 0 HA SER A 70 9.189 -13.157 -10.260 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.885 -13.230 -11.360 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.681 -13.763 -12.828 1.00 0.00 H new ATOM 0 HG SER A 70 7.175 -15.152 -10.478 1.00 0.00 H new ATOM 1072 N GLY A 71 10.745 -14.669 -11.678 1.00 0.00 N ATOM 1073 CA GLY A 71 11.852 -15.283 -12.380 1.00 0.00 C ATOM 1074 C GLY A 71 11.409 -15.863 -13.707 1.00 0.00 C ATOM 1075 O GLY A 71 12.206 -15.996 -14.637 1.00 0.00 O ATOM 0 H GLY A 71 10.411 -15.188 -10.866 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.635 -14.543 -12.547 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.285 -16.070 -11.763 1.00 0.00 H new ATOM 1079 N THR A 72 10.128 -16.202 -13.793 1.00 0.00 N ATOM 1080 CA THR A 72 9.554 -16.747 -15.007 1.00 0.00 C ATOM 1081 C THR A 72 8.789 -15.676 -15.778 1.00 0.00 C ATOM 1082 O THR A 72 8.167 -14.797 -15.178 1.00 0.00 O ATOM 1083 CB THR A 72 8.604 -17.915 -14.681 1.00 0.00 C ATOM 1084 OG1 THR A 72 7.802 -17.591 -13.533 1.00 0.00 O ATOM 1085 CG2 THR A 72 9.376 -19.197 -14.416 1.00 0.00 C ATOM 0 H THR A 72 9.465 -16.106 -13.024 1.00 0.00 H new ATOM 0 HA THR A 72 10.375 -17.111 -15.625 1.00 0.00 H new ATOM 0 HB THR A 72 7.960 -18.074 -15.546 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.200 -18.338 -13.333 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.677 -20.002 -14.189 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.958 -19.460 -15.299 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.047 -19.049 -13.570 1.00 0.00 H new ATOM 1093 N VAL A 73 8.838 -15.748 -17.101 1.00 0.00 N ATOM 1094 CA VAL A 73 8.104 -14.813 -17.933 1.00 0.00 C ATOM 1095 C VAL A 73 6.625 -15.205 -17.976 1.00 0.00 C ATOM 1096 O VAL A 73 6.282 -16.373 -18.178 1.00 0.00 O ATOM 1097 CB VAL A 73 8.695 -14.732 -19.364 1.00 0.00 C ATOM 1098 CG1 VAL A 73 8.655 -16.088 -20.058 1.00 0.00 C ATOM 1099 CG2 VAL A 73 7.972 -13.674 -20.182 1.00 0.00 C ATOM 0 H VAL A 73 9.377 -16.443 -17.617 1.00 0.00 H new ATOM 0 HA VAL A 73 8.197 -13.821 -17.491 1.00 0.00 H new ATOM 0 HB VAL A 73 9.742 -14.440 -19.280 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.076 -15.997 -21.059 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.237 -16.808 -19.483 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.623 -16.430 -20.129 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.401 -13.632 -21.183 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.914 -13.927 -20.251 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.082 -12.703 -19.699 1.00 0.00 H new ATOM 1109 N LEU A 74 5.757 -14.235 -17.748 1.00 0.00 N ATOM 1110 CA LEU A 74 4.329 -14.491 -17.675 1.00 0.00 C ATOM 1111 C LEU A 74 3.592 -13.653 -18.709 1.00 0.00 C ATOM 1112 O LEU A 74 3.802 -12.443 -18.799 1.00 0.00 O ATOM 1113 CB LEU A 74 3.823 -14.177 -16.268 1.00 0.00 C ATOM 1114 CG LEU A 74 4.530 -14.946 -15.147 1.00 0.00 C ATOM 1115 CD1 LEU A 74 4.123 -14.404 -13.789 1.00 0.00 C ATOM 1116 CD2 LEU A 74 4.216 -16.429 -15.247 1.00 0.00 C ATOM 0 H LEU A 74 6.018 -13.259 -17.610 1.00 0.00 H new ATOM 0 HA LEU A 74 4.140 -15.543 -17.890 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.938 -13.109 -16.085 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.756 -14.395 -16.223 1.00 0.00 H new ATOM 0 HG LEU A 74 5.606 -14.811 -15.259 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.635 -14.963 -13.006 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.396 -13.351 -13.721 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.045 -14.509 -13.664 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.725 -16.964 -14.445 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.140 -16.580 -15.158 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.558 -16.809 -16.210 1.00 0.00 H new ATOM 1128 N ASP A 75 2.741 -14.299 -19.492 1.00 0.00 N ATOM 1129 CA ASP A 75 2.044 -13.632 -20.583 1.00 0.00 C ATOM 1130 C ASP A 75 0.718 -13.052 -20.115 1.00 0.00 C ATOM 1131 O ASP A 75 0.211 -13.400 -19.047 1.00 0.00 O ATOM 1132 CB ASP A 75 1.800 -14.608 -21.734 1.00 0.00 C ATOM 1133 CG ASP A 75 3.084 -15.099 -22.368 1.00 0.00 C ATOM 1134 OD1 ASP A 75 3.626 -14.392 -23.245 1.00 0.00 O ATOM 1135 OD2 ASP A 75 3.558 -16.194 -21.990 1.00 0.00 O ATOM 0 H ASP A 75 2.515 -15.289 -19.392 1.00 0.00 H new ATOM 0 HA ASP A 75 2.676 -12.815 -20.930 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.232 -15.462 -21.366 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.188 -14.122 -22.493 1.00 0.00 H new ATOM 1141 N VAL A 76 0.156 -12.170 -20.928 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.109 -11.527 -20.614 1.00 0.00 C ATOM 1143 C VAL A 76 -2.244 -12.546 -20.634 1.00 0.00 C ATOM 1144 O VAL A 76 -2.278 -13.434 -21.489 1.00 0.00 O ATOM 1145 CB VAL A 76 -1.419 -10.397 -21.615 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -2.681 -9.647 -21.212 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.240 -9.442 -21.730 1.00 0.00 C ATOM 0 H VAL A 76 0.562 -11.882 -21.818 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.024 -11.098 -19.615 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.590 -10.848 -22.592 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.879 -8.854 -21.933 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.524 -10.338 -21.191 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.545 -9.211 -20.222 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.480 -8.652 -22.442 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.032 -9.001 -20.755 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.638 -9.988 -22.076 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.157 -12.422 -19.681 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.286 -13.327 -19.609 1.00 0.00 C ATOM 1159 C GLY A 77 -4.078 -14.423 -18.588 1.00 0.00 C ATOM 1160 O GLY A 77 -5.009 -15.161 -18.257 1.00 0.00 O ATOM 0 H GLY A 77 -3.135 -11.707 -18.953 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.185 -12.764 -19.357 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.454 -13.773 -20.589 1.00 0.00 H new ATOM 1164 N GLU A 78 -2.854 -14.542 -18.095 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.527 -15.545 -17.106 1.00 0.00 C ATOM 1166 C GLU A 78 -2.992 -15.139 -15.719 1.00 0.00 C ATOM 1167 O GLU A 78 -3.433 -14.010 -15.497 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.030 -15.796 -17.090 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.529 -16.519 -18.317 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.176 -17.876 -18.508 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -0.548 -18.891 -18.146 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -2.312 -17.933 -19.019 1.00 0.00 O ATOM 0 H GLU A 78 -2.070 -13.950 -18.369 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.049 -16.461 -17.382 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.510 -14.842 -17.002 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.777 -16.380 -16.205 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.719 -15.905 -19.197 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.551 -16.644 -18.243 1.00 0.00 H new ATOM 1180 N GLU A 79 -2.868 -16.073 -14.792 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.243 -15.847 -13.407 1.00 0.00 C ATOM 1182 C GLU A 79 -2.038 -16.095 -12.512 1.00 0.00 C ATOM 1183 O GLU A 79 -1.273 -17.037 -12.743 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.396 -16.771 -13.006 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.617 -16.653 -13.905 1.00 0.00 C ATOM 1186 CD GLU A 79 -6.788 -17.483 -13.420 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -6.895 -18.660 -13.816 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -7.624 -16.952 -12.657 1.00 0.00 O ATOM 0 H GLU A 79 -2.505 -17.008 -14.978 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.575 -14.815 -13.291 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.044 -17.803 -13.020 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.689 -16.548 -11.980 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.919 -15.607 -13.964 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.350 -16.965 -14.915 1.00 0.00 H new ATOM 1196 N VAL A 80 -1.853 -15.248 -11.511 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.691 -15.358 -10.640 1.00 0.00 C ATOM 1198 C VAL A 80 -1.073 -15.323 -9.169 1.00 0.00 C ATOM 1199 O VAL A 80 -2.132 -14.821 -8.800 1.00 0.00 O ATOM 1200 CB VAL A 80 0.332 -14.235 -10.920 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.892 -14.357 -12.325 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.290 -12.861 -10.709 1.00 0.00 C ATOM 0 H VAL A 80 -2.487 -14.482 -11.282 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.238 -16.325 -10.860 1.00 0.00 H new ATOM 0 HB VAL A 80 1.153 -14.346 -10.211 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.610 -13.556 -12.501 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.388 -15.321 -12.436 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.080 -14.281 -13.048 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.453 -12.090 -10.913 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.136 -12.737 -11.384 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.632 -12.771 -9.678 1.00 0.00 H new ATOM 1212 N SER A 81 -0.203 -15.890 -8.348 1.00 0.00 N ATOM 1213 CA SER A 81 -0.366 -15.863 -6.907 1.00 0.00 C ATOM 1214 C SER A 81 0.583 -14.832 -6.307 1.00 0.00 C ATOM 1215 O SER A 81 1.797 -14.914 -6.504 1.00 0.00 O ATOM 1216 CB SER A 81 -0.070 -17.243 -6.323 1.00 0.00 C ATOM 1217 OG SER A 81 -0.767 -18.257 -7.032 1.00 0.00 O ATOM 0 H SER A 81 0.634 -16.381 -8.663 1.00 0.00 H new ATOM 0 HA SER A 81 -1.394 -15.591 -6.666 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.002 -17.437 -6.364 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.358 -17.266 -5.272 1.00 0.00 H new ATOM 0 HG SER A 81 -1.697 -18.292 -6.723 1.00 0.00 H new ATOM 1223 N VAL A 82 0.034 -13.856 -5.602 1.00 0.00 N ATOM 1224 CA VAL A 82 0.849 -12.826 -4.979 1.00 0.00 C ATOM 1225 C VAL A 82 1.506 -13.374 -3.719 1.00 0.00 C ATOM 1226 O VAL A 82 0.832 -13.633 -2.719 1.00 0.00 O ATOM 1227 CB VAL A 82 0.017 -11.577 -4.625 1.00 0.00 C ATOM 1228 CG1 VAL A 82 0.903 -10.478 -4.062 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.752 -11.076 -5.838 1.00 0.00 C ATOM 0 H VAL A 82 -0.969 -13.755 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 82 1.614 -12.531 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.704 -11.860 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.293 -9.607 -3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.398 -10.836 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.654 -10.201 -4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.331 -10.194 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.051 -10.817 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.426 -11.857 -6.190 1.00 0.00 H new ATOM 1239 N LYS A 83 2.816 -13.560 -3.779 1.00 0.00 N ATOM 1240 CA LYS A 83 3.543 -14.191 -2.689 1.00 0.00 C ATOM 1241 C LYS A 83 4.191 -13.155 -1.777 1.00 0.00 C ATOM 1242 O LYS A 83 4.289 -13.360 -0.567 1.00 0.00 O ATOM 1243 CB LYS A 83 4.604 -15.128 -3.239 1.00 0.00 C ATOM 1244 CG LYS A 83 4.813 -16.353 -2.371 1.00 0.00 C ATOM 1245 CD LYS A 83 5.909 -17.237 -2.925 1.00 0.00 C ATOM 1246 CE LYS A 83 5.915 -18.601 -2.262 1.00 0.00 C ATOM 1247 NZ LYS A 83 4.643 -19.333 -2.504 1.00 0.00 N ATOM 0 H LYS A 83 3.397 -13.283 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 83 2.826 -14.762 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.318 -15.444 -4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.547 -14.588 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.069 -16.044 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.884 -16.919 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.773 -17.355 -4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.876 -16.755 -2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.751 -19.188 -2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.070 -18.484 -1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.792 -20.350 -2.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.912 -18.985 -1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.334 -19.177 -3.485 1.00 0.00 H new ATOM 1261 N ALA A 84 4.645 -12.050 -2.358 1.00 0.00 N ATOM 1262 CA ALA A 84 5.298 -11.000 -1.584 1.00 0.00 C ATOM 1263 C ALA A 84 5.116 -9.632 -2.232 1.00 0.00 C ATOM 1264 O ALA A 84 4.867 -9.532 -3.432 1.00 0.00 O ATOM 1265 CB ALA A 84 6.780 -11.310 -1.422 1.00 0.00 C ATOM 0 H ALA A 84 4.574 -11.858 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 84 4.828 -10.970 -0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.256 -10.519 -0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.898 -12.261 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.248 -11.372 -2.404 1.00 0.00 H new ATOM 1271 N ILE A 85 5.227 -8.587 -1.425 1.00 0.00 N ATOM 1272 CA ILE A 85 5.168 -7.217 -1.916 1.00 0.00 C ATOM 1273 C ILE A 85 6.541 -6.579 -1.758 1.00 0.00 C ATOM 1274 O ILE A 85 7.162 -6.707 -0.702 1.00 0.00 O ATOM 1275 CB ILE A 85 4.125 -6.373 -1.144 1.00 0.00 C ATOM 1276 CG1 ILE A 85 2.745 -7.029 -1.216 1.00 0.00 C ATOM 1277 CG2 ILE A 85 4.067 -4.953 -1.695 1.00 0.00 C ATOM 1278 CD1 ILE A 85 1.679 -6.302 -0.423 1.00 0.00 C ATOM 0 H ILE A 85 5.360 -8.663 -0.417 1.00 0.00 H new ATOM 0 HA ILE A 85 4.868 -7.243 -2.964 1.00 0.00 H new ATOM 0 HB ILE A 85 4.432 -6.324 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.434 -7.085 -2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.821 -8.053 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.328 -4.377 -1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.045 -4.483 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.786 -4.982 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.729 -6.827 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.966 -6.269 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.573 -5.286 -0.802 1.00 0.00 H new ATOM 1290 N GLU A 86 7.023 -5.913 -2.795 1.00 0.00 N ATOM 1291 CA GLU A 86 8.354 -5.333 -2.754 1.00 0.00 C ATOM 1292 C GLU A 86 8.418 -4.062 -3.595 1.00 0.00 C ATOM 1293 O GLU A 86 8.569 -4.119 -4.817 1.00 0.00 O ATOM 1294 CB GLU A 86 9.379 -6.360 -3.241 1.00 0.00 C ATOM 1295 CG GLU A 86 10.820 -5.897 -3.136 1.00 0.00 C ATOM 1296 CD GLU A 86 11.800 -6.995 -3.478 1.00 0.00 C ATOM 1297 OE1 GLU A 86 12.594 -7.383 -2.595 1.00 0.00 O ATOM 1298 OE2 GLU A 86 11.768 -7.486 -4.625 1.00 0.00 O ATOM 0 H GLU A 86 6.517 -5.762 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 86 8.589 -5.061 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.261 -7.277 -2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.163 -6.608 -4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.977 -5.051 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.013 -5.543 -2.123 1.00 0.00 H new ATOM 1306 N GLY A 87 8.280 -2.922 -2.934 1.00 0.00 N ATOM 1307 CA GLY A 87 8.319 -1.653 -3.629 1.00 0.00 C ATOM 1308 C GLY A 87 6.983 -1.321 -4.259 1.00 0.00 C ATOM 1309 O GLY A 87 5.960 -1.273 -3.573 1.00 0.00 O ATOM 0 H GLY A 87 8.141 -2.854 -1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.599 -0.864 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.088 -1.684 -4.401 1.00 0.00 H new ATOM 1313 N VAL A 88 6.984 -1.101 -5.565 1.00 0.00 N ATOM 1314 CA VAL A 88 5.752 -0.810 -6.290 1.00 0.00 C ATOM 1315 C VAL A 88 5.337 -2.035 -7.104 1.00 0.00 C ATOM 1316 O VAL A 88 4.334 -2.025 -7.827 1.00 0.00 O ATOM 1317 CB VAL A 88 5.921 0.412 -7.223 1.00 0.00 C ATOM 1318 CG1 VAL A 88 4.573 0.915 -7.724 1.00 0.00 C ATOM 1319 CG2 VAL A 88 6.672 1.528 -6.513 1.00 0.00 C ATOM 0 H VAL A 88 7.822 -1.118 -6.146 1.00 0.00 H new ATOM 0 HA VAL A 88 4.976 -0.570 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 88 6.504 0.093 -8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.725 1.774 -8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.072 0.122 -8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.956 1.209 -6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.781 2.379 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.116 1.835 -5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.658 1.171 -6.217 1.00 0.00 H new ATOM 1329 N LYS A 89 6.116 -3.101 -6.969 1.00 0.00 N ATOM 1330 CA LYS A 89 5.858 -4.326 -7.701 1.00 0.00 C ATOM 1331 C LYS A 89 5.705 -5.512 -6.759 1.00 0.00 C ATOM 1332 O LYS A 89 6.258 -5.531 -5.658 1.00 0.00 O ATOM 1333 CB LYS A 89 6.953 -4.575 -8.741 1.00 0.00 C ATOM 1334 CG LYS A 89 8.367 -4.372 -8.237 1.00 0.00 C ATOM 1335 CD LYS A 89 8.958 -5.656 -7.674 1.00 0.00 C ATOM 1336 CE LYS A 89 10.452 -5.511 -7.431 1.00 0.00 C ATOM 1337 NZ LYS A 89 11.105 -6.805 -7.092 1.00 0.00 N ATOM 0 H LYS A 89 6.932 -3.138 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 89 4.912 -4.210 -8.231 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.857 -5.596 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.786 -3.911 -9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.994 -4.010 -9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.371 -3.602 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.458 -5.911 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.777 -6.478 -8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.922 -5.093 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.617 -4.801 -6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.125 -6.739 -7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.954 -7.017 -6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.693 -7.564 -7.671 1.00 0.00 H new ATOM 1351 N LEU A 90 4.927 -6.486 -7.189 1.00 0.00 N ATOM 1352 CA LEU A 90 4.671 -7.670 -6.394 1.00 0.00 C ATOM 1353 C LEU A 90 5.552 -8.826 -6.856 1.00 0.00 C ATOM 1354 O LEU A 90 5.938 -8.905 -8.024 1.00 0.00 O ATOM 1355 CB LEU A 90 3.193 -8.064 -6.505 1.00 0.00 C ATOM 1356 CG LEU A 90 2.187 -6.951 -6.208 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.767 -7.451 -6.418 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.363 -6.431 -4.792 1.00 0.00 C ATOM 0 H LEU A 90 4.457 -6.479 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 90 4.907 -7.447 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.009 -8.435 -7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.004 -8.892 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 90 2.372 -6.128 -6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.063 -6.647 -6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.644 -7.774 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.574 -8.291 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.637 -5.640 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.207 -7.245 -4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.371 -6.035 -4.673 1.00 0.00 H new ATOM 1370 N VAL A 91 5.884 -9.705 -5.930 1.00 0.00 N ATOM 1371 CA VAL A 91 6.586 -10.928 -6.254 1.00 0.00 C ATOM 1372 C VAL A 91 5.563 -12.043 -6.405 1.00 0.00 C ATOM 1373 O VAL A 91 4.962 -12.484 -5.422 1.00 0.00 O ATOM 1374 CB VAL A 91 7.615 -11.302 -5.164 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.376 -12.559 -5.557 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.577 -10.147 -4.915 1.00 0.00 C ATOM 0 H VAL A 91 5.675 -9.591 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 91 7.137 -10.782 -7.183 1.00 0.00 H new ATOM 0 HB VAL A 91 7.076 -11.503 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.096 -12.807 -4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.675 -13.385 -5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.902 -12.387 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.294 -10.430 -4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.109 -9.912 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.017 -9.272 -4.586 1.00 0.00 H new ATOM 1386 N VAL A 92 5.332 -12.465 -7.637 1.00 0.00 N ATOM 1387 CA VAL A 92 4.248 -13.390 -7.919 1.00 0.00 C ATOM 1388 C VAL A 92 4.750 -14.689 -8.535 1.00 0.00 C ATOM 1389 O VAL A 92 5.863 -14.760 -9.065 1.00 0.00 O ATOM 1390 CB VAL A 92 3.201 -12.761 -8.867 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.524 -11.565 -8.211 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.845 -12.352 -10.187 1.00 0.00 C ATOM 0 H VAL A 92 5.876 -12.184 -8.452 1.00 0.00 H new ATOM 0 HA VAL A 92 3.783 -13.612 -6.959 1.00 0.00 H new ATOM 0 HB VAL A 92 2.440 -13.513 -9.074 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.792 -11.140 -8.897 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.022 -11.886 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.273 -10.812 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.090 -11.912 -10.839 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.631 -11.622 -9.997 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.274 -13.230 -10.670 1.00 0.00 H new ATOM 1402 N GLU A 93 3.912 -15.709 -8.453 1.00 0.00 N ATOM 1403 CA GLU A 93 4.173 -16.985 -9.098 1.00 0.00 C ATOM 1404 C GLU A 93 3.048 -17.247 -10.077 1.00 0.00 C ATOM 1405 O GLU A 93 1.975 -16.667 -9.938 1.00 0.00 O ATOM 1406 CB GLU A 93 4.210 -18.130 -8.080 1.00 0.00 C ATOM 1407 CG GLU A 93 5.092 -17.885 -6.868 1.00 0.00 C ATOM 1408 CD GLU A 93 5.049 -19.044 -5.885 1.00 0.00 C ATOM 1409 OE1 GLU A 93 5.998 -19.857 -5.866 1.00 0.00 O ATOM 1410 OE2 GLU A 93 4.061 -19.154 -5.128 1.00 0.00 O ATOM 0 H GLU A 93 3.032 -15.676 -7.938 1.00 0.00 H new ATOM 0 HA GLU A 93 5.142 -16.939 -9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.194 -18.324 -7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.554 -19.033 -8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.120 -17.725 -7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.772 -16.972 -6.366 1.00 0.00 H new ATOM 1418 N LYS A 94 3.267 -18.107 -11.057 1.00 0.00 N ATOM 1419 CA LYS A 94 2.178 -18.495 -11.932 1.00 0.00 C ATOM 1420 C LYS A 94 1.207 -19.362 -11.146 1.00 0.00 C ATOM 1421 O LYS A 94 1.629 -20.174 -10.321 1.00 0.00 O ATOM 1422 CB LYS A 94 2.672 -19.253 -13.170 1.00 0.00 C ATOM 1423 CG LYS A 94 1.532 -19.643 -14.102 1.00 0.00 C ATOM 1424 CD LYS A 94 1.995 -20.447 -15.304 1.00 0.00 C ATOM 1425 CE LYS A 94 0.802 -20.911 -16.129 1.00 0.00 C ATOM 1426 NZ LYS A 94 1.207 -21.614 -17.377 1.00 0.00 N ATOM 0 H LYS A 94 4.167 -18.540 -11.263 1.00 0.00 H new ATOM 0 HA LYS A 94 1.685 -17.590 -12.287 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.386 -18.633 -13.712 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.204 -20.151 -12.855 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.797 -20.224 -13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.028 -18.740 -14.448 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.657 -19.840 -15.921 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.572 -21.310 -14.971 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.185 -21.577 -15.526 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.185 -20.050 -16.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.358 -21.908 -17.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.774 -20.973 -17.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.773 -22.452 -17.135 1.00 0.00 H new ATOM 1440 N LEU A 95 -0.082 -19.163 -11.370 1.00 0.00 N ATOM 1441 CA LEU A 95 -1.092 -19.972 -10.716 1.00 0.00 C ATOM 1442 C LEU A 95 -0.867 -21.439 -11.052 1.00 0.00 C ATOM 1443 O LEU A 95 -0.317 -21.758 -12.109 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.491 -19.544 -11.151 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.490 -19.411 -10.010 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -3.193 -18.177 -9.177 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -4.912 -19.374 -10.539 1.00 0.00 C ATOM 0 H LEU A 95 -0.451 -18.449 -11.999 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.011 -19.830 -9.638 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.421 -18.588 -11.670 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.873 -20.269 -11.870 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.391 -20.287 -9.368 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.919 -18.101 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.189 -18.253 -8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.257 -17.289 -9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.608 -19.279 -9.706 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.029 -18.522 -11.209 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.122 -20.295 -11.083 1.00 0.00 H new ATOM 1459 N GLU A 96 -1.282 -22.323 -10.157 1.00 0.00 N ATOM 1460 CA GLU A 96 -1.011 -23.743 -10.317 1.00 0.00 C ATOM 1461 C GLU A 96 -1.697 -24.279 -11.567 1.00 0.00 C ATOM 1462 O GLU A 96 -2.926 -24.317 -11.653 1.00 0.00 O ATOM 1463 CB GLU A 96 -1.452 -24.521 -9.075 1.00 0.00 C ATOM 1464 CG GLU A 96 -1.074 -25.991 -9.114 1.00 0.00 C ATOM 1465 CD GLU A 96 -1.120 -26.647 -7.749 1.00 0.00 C ATOM 1466 OE1 GLU A 96 -0.079 -26.644 -7.054 1.00 0.00 O ATOM 1467 OE2 GLU A 96 -2.181 -27.181 -7.368 1.00 0.00 O ATOM 0 H GLU A 96 -1.806 -22.083 -9.315 1.00 0.00 H new ATOM 0 HA GLU A 96 0.064 -23.878 -10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.006 -24.063 -8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.533 -24.435 -8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.750 -26.517 -9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.070 -26.092 -9.527 1.00 0.00 H new ATOM 1475 N GLU A 97 -0.883 -24.646 -12.545 1.00 0.00 N ATOM 1476 CA GLU A 97 -1.371 -25.167 -13.807 1.00 0.00 C ATOM 1477 C GLU A 97 -1.276 -26.688 -13.785 1.00 0.00 C ATOM 1478 O GLU A 97 -0.186 -27.250 -13.645 1.00 0.00 O ATOM 1479 CB GLU A 97 -0.543 -24.581 -14.958 1.00 0.00 C ATOM 1480 CG GLU A 97 -1.313 -24.395 -16.258 1.00 0.00 C ATOM 1481 CD GLU A 97 -1.839 -25.694 -16.821 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -3.038 -25.978 -16.646 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -1.046 -26.441 -17.433 1.00 0.00 O ATOM 0 H GLU A 97 0.134 -24.590 -12.484 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.412 -24.882 -13.956 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.143 -23.616 -14.646 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.309 -25.234 -15.145 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.147 -23.715 -16.086 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.663 -23.922 -16.995 1.00 0.00 H new ATOM 1491 N GLN A 98 -2.416 -27.346 -13.930 1.00 0.00 N ATOM 1492 CA GLN A 98 -2.496 -28.793 -13.788 1.00 0.00 C ATOM 1493 C GLN A 98 -1.874 -29.506 -14.984 1.00 0.00 C ATOM 1494 O GLN A 98 -2.351 -29.386 -16.111 1.00 0.00 O ATOM 1495 CB GLN A 98 -3.957 -29.224 -13.612 1.00 0.00 C ATOM 1496 CG GLN A 98 -4.632 -28.584 -12.411 1.00 0.00 C ATOM 1497 CD GLN A 98 -3.919 -28.891 -11.114 1.00 0.00 C ATOM 1498 OE1 GLN A 98 -3.011 -28.171 -10.704 1.00 0.00 O ATOM 1499 NE2 GLN A 98 -4.322 -29.964 -10.460 1.00 0.00 N ATOM 0 H GLN A 98 -3.306 -26.897 -14.148 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.929 -29.076 -12.901 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.515 -28.968 -14.513 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.999 -30.308 -13.508 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -4.671 -27.504 -12.553 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.662 -28.935 -12.347 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.079 -30.535 -10.835 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -3.876 -30.222 -9.580 1.00 0.00 H new ATOM 1508 N LYS A 99 -0.803 -30.249 -14.724 1.00 0.00 N ATOM 1509 CA LYS A 99 -0.122 -31.015 -15.763 1.00 0.00 C ATOM 1510 C LYS A 99 -0.961 -32.219 -16.172 1.00 0.00 C ATOM 1511 O LYS A 99 -0.872 -32.705 -17.297 1.00 0.00 O ATOM 1512 CB LYS A 99 1.233 -31.509 -15.256 1.00 0.00 C ATOM 1513 CG LYS A 99 2.123 -30.425 -14.677 1.00 0.00 C ATOM 1514 CD LYS A 99 3.405 -31.024 -14.126 1.00 0.00 C ATOM 1515 CE LYS A 99 4.282 -29.977 -13.467 1.00 0.00 C ATOM 1516 NZ LYS A 99 5.519 -30.572 -12.897 1.00 0.00 N ATOM 0 H LYS A 99 -0.386 -30.337 -13.797 1.00 0.00 H new ATOM 0 HA LYS A 99 0.023 -30.362 -16.623 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.066 -32.270 -14.493 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.760 -31.993 -16.079 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.360 -29.691 -15.447 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.593 -29.896 -13.885 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.160 -31.801 -13.401 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.958 -31.504 -14.934 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.549 -29.214 -14.198 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.721 -29.478 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.092 -29.825 -12.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.265 -31.282 -12.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.067 -31.026 -13.655 1.00 0.00 H new ATOM 1530 N GLY A 100 -1.766 -32.695 -15.234 1.00 0.00 N ATOM 1531 CA GLY A 100 -2.547 -33.895 -15.442 1.00 0.00 C ATOM 1532 C GLY A 100 -2.656 -34.694 -14.162 1.00 0.00 C ATOM 1533 O GLY A 100 -3.692 -35.292 -13.866 1.00 0.00 O ATOM 0 H GLY A 100 -1.893 -32.263 -14.319 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.543 -33.629 -15.796 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.085 -34.505 -16.218 1.00 0.00 H new ATOM 1537 N SER A 101 -1.569 -34.695 -13.402 1.00 0.00 N ATOM 1538 CA SER A 101 -1.540 -35.309 -12.086 1.00 0.00 C ATOM 1539 C SER A 101 -0.808 -34.380 -11.124 1.00 0.00 C ATOM 1540 O SER A 101 0.411 -34.184 -11.302 1.00 0.00 O ATOM 1541 CB SER A 101 -0.859 -36.680 -12.145 1.00 0.00 C ATOM 1542 OG SER A 101 -1.062 -37.414 -10.946 1.00 0.00 O ATOM 1543 OXT SER A 101 -1.464 -33.810 -10.227 1.00 0.00 O ATOM 0 H SER A 101 -0.685 -34.270 -13.682 1.00 0.00 H new ATOM 0 HA SER A 101 -2.559 -35.464 -11.733 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.251 -37.246 -12.990 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.209 -36.550 -12.317 1.00 0.00 H new ATOM 0 HG SER A 101 -0.617 -38.284 -11.016 1.00 0.00 H new TER 1549 SER A 101